5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide

C43H48N12O5 — CID 157283703

IUPAC5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCOc1cncc(-c2cc(N3CCOCC3)nc(-c3ccc(N)nc3)n2)c1.COc1cncc(-c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)C(C)(C)C)nc3)n2)c1
InChIInChI=1S/C24H28N6O3.C19H20N6O2/c1-24(2,3)23(31)28-20-6-5-16(14-26-20)22-27-19(17-11-18(32-4)15-25-13-17)12-21(29-22)30-7-9-33-10-8-30;1-26-15-8-14(10-21-12-15)16-9-18(25-4-6-27-7-5-25)24-19(23-16)13-2-3-17(20)22-11-13/h5-6,11-15H,7-10H2,1-4H3,(H,26,28,31);2-3,8-12H,4-7H2,1H3,(H2,20,22)
InChIKeyAZYYYENTNGCMOC-UHFFFAOYSA-N
MW812.94 g/mol
LogP5.46
Rot. Bonds9

About 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide

5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 157283703) has the molecular formula C43H48N12O5 and a molecular weight of 812.94 g/mol. Its IUPAC name is 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID157283703
Molecular FormulaC43H48N12O5
Molecular Weight812.94 g/mol
Exact Mass812.39
IUPAC Name5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCOc1cncc(-c2cc(N3CCOCC3)nc(-c3ccc(N)nc3)n2)c1.COc1cncc(-c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)C(C)(C)C)nc3)n2)c1
InChIInChI=1S/C24H28N6O3.C19H20N6O2/c1-24(2,3)23(31)28-20-6-5-16(14-26-20)22-27-19(17-11-18(32-4)15-25-13-17)12-21(29-22)30-7-9-33-10-8-30;1-26-15-8-14(10-21-12-15)16-9-18(25-4-6-27-7-5-25)24-19(23-16)13-2-3-17(20)22-11-13/h5-6,11-15H,7-10H2,1-4H3,(H,26,28,31);2-3,8-12H,4-7H2,1H3,(H2,20,22)
InChIKeyAZYYYENTNGCMOC-UHFFFAOYSA-N
XLogP5.46
TPSA201.64 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500812.94
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 157283703) is 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide is COc1cncc(-c2cc(N3CCOCC3)nc(-c3ccc(N)nc3)n2)c1.COc1cncc(-c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)C(C)(C)C)nc3)n2)c1.
What is the InChIKey of 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is AZYYYENTNGCMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3.C19H20N6O2/c1-24(2,3)23(31)28-20-6-5-16(14-26-20)22-27-19(17-11-18(32-4)15-25-13-17)12-21(29-22)30-7-9-33-10-8-30;1-26-15-8-14(10-21-12-15)16-9-18(25-4-6-27-7-5-25)24-19(23-16)13-2-3-17(20)22-11-13/h5-6,11-15H,7-10H2,1-4H3,(H,26,28,31);2-3,8-12H,4-7H2,1H3,(H2,20,22).
What are the key properties of 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 812.94 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine;N-[5-[4-(5-methoxy-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 157283703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).