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

C20H19N7O — CID 67363362

IUPAC5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2cc(-c3ccccc3)no2)ncc1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H19N7O/c21-19-15(18-9-16(25-26-18)13-6-7-13)11-23-20(24-19)22-10-14-8-17(27-28-14)12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7,10H2,(H,25,26)(H3,21,22,23,24)
InChIKeyVDLGCXFPQHTZHY-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.59
Rot. Bonds6

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

5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 67363362) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID67363362
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2cc(-c3ccccc3)no2)ncc1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H19N7O/c21-19-15(18-9-16(25-26-18)13-6-7-13)11-23-20(24-19)22-10-14-8-17(27-28-14)12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7,10H2,(H,25,26)(H3,21,22,23,24)
InChIKeyVDLGCXFPQHTZHY-UHFFFAOYSA-N
XLogP3.59
TPSA118.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 67363362) is 5-(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 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is Nc1nc(NCc2cc(-c3ccccc3)no2)ncc1-c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is VDLGCXFPQHTZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c21-19-15(18-9-16(25-26-18)13-6-7-13)11-23-20(24-19)22-10-14-8-17(27-28-14)12-4-2-1-3-5-12/h1-5,8-9,11,13H,6-7,10H2,(H,25,26)(H3,21,22,23,24).
What are the key properties of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
5-(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 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(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 67363362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).