4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C24H28N8O2 — CID 11590715

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCN(C)CCOc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C24H28N8O2/c1-32(2)10-11-33-23-14-21(26-22-13-19(29-30-22)17-8-9-17)27-24(28-23)25-15-18-12-20(31-34-18)16-6-4-3-5-7-16/h3-7,12-14,17H,8-11,15H2,1-2H3,(H3,25,26,27,28,29,30)
InChIKeySMQFYWPXCHICKV-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.03
Rot. Bonds11

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 11590715) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID11590715
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCN(C)CCOc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C24H28N8O2/c1-32(2)10-11-33-23-14-21(26-22-13-19(29-30-22)17-8-9-17)27-24(28-23)25-15-18-12-20(31-34-18)16-6-4-3-5-7-16/h3-7,12-14,17H,8-11,15H2,1-2H3,(H3,25,26,27,28,29,30)
InChIKeySMQFYWPXCHICKV-UHFFFAOYSA-N
XLogP4.03
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 11590715) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is CN(C)CCOc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is SMQFYWPXCHICKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-32(2)10-11-33-23-14-21(26-22-13-19(29-30-22)17-8-9-17)27-24(28-23)25-15-18-12-20(31-34-18)16-6-4-3-5-7-16/h3-7,12-14,17H,8-11,15H2,1-2H3,(H3,25,26,27,28,29,30).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 460.54 g/mol, XLogP of 4.03, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 11590715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).