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

C17H24N8O2 — CID 59648382

IUPAC6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nc(Nc3cc(C)[nH]n3)cc(OCCN(C)C)n2)on1
InChIInChI=1S/C17H24N8O2/c1-11-8-15(23-22-11)19-14-9-16(26-6-5-25(3)4)21-17(20-14)18-10-13-7-12(2)24-27-13/h7-9H,5-6,10H2,1-4H3,(H3,18,19,20,21,22,23)
InChIKeyCKAVYTKOCKFOBC-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.10
Rot. Bonds9

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

6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 59648382) has the molecular formula C17H24N8O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID59648382
Molecular FormulaC17H24N8O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nc(Nc3cc(C)[nH]n3)cc(OCCN(C)C)n2)on1
InChIInChI=1S/C17H24N8O2/c1-11-8-15(23-22-11)19-14-9-16(26-6-5-25(3)4)21-17(20-14)18-10-13-7-12(2)24-27-13/h7-9H,5-6,10H2,1-4H3,(H3,18,19,20,21,22,23)
InChIKeyCKAVYTKOCKFOBC-UHFFFAOYSA-N
XLogP2.10
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 59648382) is 6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(CNc2nc(Nc3cc(C)[nH]n3)cc(OCCN(C)C)n2)on1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is CKAVYTKOCKFOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O2/c1-11-8-15(23-22-11)19-14-9-16(26-6-5-25(3)4)21-17(20-14)18-10-13-7-12(2)24-27-13/h7-9H,5-6,10H2,1-4H3,(H3,18,19,20,21,22,23).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 372.43 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59648382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).