4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine

C16H16N6 — CID 66927429

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine
SMILESc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C16H16N6/c1-2-4-12(5-3-1)18-16-17-9-8-14(20-16)19-15-10-13(21-22-15)11-6-7-11/h1-5,8-11H,6-7H2,(H3,17,18,19,20,21,22)
InChIKeyBHUYTRQRQFFKFH-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.56
Rot. Bonds5

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 66927429) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID66927429
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine
SMILESc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C16H16N6/c1-2-4-12(5-3-1)18-16-17-9-8-14(20-16)19-15-10-13(21-22-15)11-6-7-11/h1-5,8-11H,6-7H2,(H3,17,18,19,20,21,22)
InChIKeyBHUYTRQRQFFKFH-UHFFFAOYSA-N
XLogP3.56
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine (CID 66927429) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine is c1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is BHUYTRQRQFFKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-2-4-12(5-3-1)18-16-17-9-8-14(20-16)19-15-10-13(21-22-15)11-6-7-11/h1-5,8-11H,6-7H2,(H3,17,18,19,20,21,22).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 292.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 66927429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).