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

C20H19N7O — CID 11717710

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(CNc3nccc(Nc4cc(C5CC5)[nH]n4)n3)on2)cc1
InChIInChI=1S/C20H19N7O/c1-2-4-13(5-3-1)17-10-15(28-27-17)12-22-20-21-9-8-18(24-20)23-19-11-16(25-26-19)14-6-7-14/h1-5,8-11,14H,6-7,12H2,(H3,21,22,23,24,25,26)
InChIKeyLPBXGPGUQAXEMV-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.09
Rot. Bonds7

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 11717710) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-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)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID11717710
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(CNc3nccc(Nc4cc(C5CC5)[nH]n4)n3)on2)cc1
InChIInChI=1S/C20H19N7O/c1-2-4-13(5-3-1)17-10-15(28-27-17)12-22-20-21-9-8-18(24-20)23-19-11-16(25-26-19)14-6-7-14/h1-5,8-11,14H,6-7,12H2,(H3,21,22,23,24,25,26)
InChIKeyLPBXGPGUQAXEMV-UHFFFAOYSA-N
XLogP4.09
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-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)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 11717710) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-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)-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)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is c1ccc(-c2cc(CNc3nccc(Nc4cc(C5CC5)[nH]n4)n3)on2)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is LPBXGPGUQAXEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-2-4-13(5-3-1)17-10-15(28-27-17)12-22-20-21-9-8-18(24-20)23-19-11-16(25-26-19)14-6-7-14/h1-5,8-11,14H,6-7,12H2,(H3,21,22,23,24,25,26).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 373.42 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 11717710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).