4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine

C28H32N12O2S2 — CID 167677736

IUPAC4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nccc(Nc3ccnc(Nc4ncc(N5CCOCC5)s4)n3)n2)n1.Nc1ncc(N2CCOCC2)s1
InChIInChI=1S/C21H21N9OS.C7H11N3OS/c1-14-3-2-4-15(25-14)19-22-7-5-16(27-19)26-17-6-8-23-20(28-17)29-21-24-13-18(32-21)30-9-11-31-12-10-30;8-7-9-5-6(12-7)10-1-3-11-4-2-10/h2-8,13H,9-12H2,1H3,(H2,22,23,24,26,27,28,29);5H,1-4H2,(H2,8,9)
InChIKeyVBKUGFKZLFNNHP-UHFFFAOYSA-N
MW632.78 g/mol
LogP3.98
Rot. Bonds7

About 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine

4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine (PubChem CID 167677736) has the molecular formula C28H32N12O2S2 and a molecular weight of 632.78 g/mol. Its IUPAC name is 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine
PubChem CID167677736
Molecular FormulaC28H32N12O2S2
Molecular Weight632.78 g/mol
Exact Mass632.22
IUPAC Name4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nccc(Nc3ccnc(Nc4ncc(N5CCOCC5)s4)n3)n2)n1.Nc1ncc(N2CCOCC2)s1
InChIInChI=1S/C21H21N9OS.C7H11N3OS/c1-14-3-2-4-15(25-14)19-22-7-5-16(27-19)26-17-6-8-23-20(28-17)29-21-24-13-18(32-21)30-9-11-31-12-10-30;8-7-9-5-6(12-7)10-1-3-11-4-2-10/h2-8,13H,9-12H2,1H3,(H2,22,23,24,26,27,28,29);5H,1-4H2,(H2,8,9)
InChIKeyVBKUGFKZLFNNHP-UHFFFAOYSA-N
XLogP3.98
TPSA165.25 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.78
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine (CID 167677736) is 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine is Cc1cccc(-c2nccc(Nc3ccnc(Nc4ncc(N5CCOCC5)s4)n3)n2)n1.Nc1ncc(N2CCOCC2)s1.
What is the InChIKey of 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine?
The InChIKey is VBKUGFKZLFNNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9OS.C7H11N3OS/c1-14-3-2-4-15(25-14)19-22-7-5-16(27-19)26-17-6-8-23-20(28-17)29-21-24-13-18(32-21)30-9-11-31-12-10-30;8-7-9-5-6(12-7)10-1-3-11-4-2-10/h2-8,13H,9-12H2,1H3,(H2,22,23,24,26,27,28,29);5H,1-4H2,(H2,8,9).
What are the key properties of 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine?
4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine has a molecular weight of 632.78 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;5-morpholin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 167677736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).