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

C19H26N8O2 — CID 59648411

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(C)C)n2)on1
InChIInChI=1S/C19H26N8O2/c1-12-8-14(29-26-12)11-20-19-22-16(10-18(23-19)28-7-6-27(2)3)21-17-9-15(24-25-17)13-4-5-13/h8-10,13H,4-7,11H2,1-3H3,(H3,20,21,22,23,24,25)
InChIKeyNXFUOYOAUIAIFL-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.67
Rot. Bonds10

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-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-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59648411) has the molecular formula C19H26N8O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-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-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID59648411
Molecular FormulaC19H26N8O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(C)C)n2)on1
InChIInChI=1S/C19H26N8O2/c1-12-8-14(29-26-12)11-20-19-22-16(10-18(23-19)28-7-6-27(2)3)21-17-9-15(24-25-17)13-4-5-13/h8-10,13H,4-7,11H2,1-3H3,(H3,20,21,22,23,24,25)
InChIKeyNXFUOYOAUIAIFL-UHFFFAOYSA-N
XLogP2.67
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.67
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-methyl-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-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 59648411) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-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-methyl-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-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(C)C)n2)on1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NXFUOYOAUIAIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O2/c1-12-8-14(29-26-12)11-20-19-22-16(10-18(23-19)28-7-6-27(2)3)21-17-9-15(24-25-17)13-4-5-13/h8-10,13H,4-7,11H2,1-3H3,(H3,20,21,22,23,24,25).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-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-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 398.47 g/mol, XLogP of 2.67, 10 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-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59648411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).