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

C14H14N6 — CID 155556377

IUPAC4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(Nc3ccccc3)n2)n[nH]1
InChIInChI=1S/C14H14N6/c1-10-9-13(20-19-10)17-12-7-8-15-14(18-12)16-11-5-3-2-4-6-11/h2-9H,1H3,(H3,15,16,17,18,19,20)
InChIKeyAOUCWIVSGHLRED-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.00
Rot. Bonds4

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

4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 155556377) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID155556377
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(Nc3ccccc3)n2)n[nH]1
InChIInChI=1S/C14H14N6/c1-10-9-13(20-19-10)17-12-7-8-15-14(18-12)16-11-5-3-2-4-6-11/h2-9H,1H3,(H3,15,16,17,18,19,20)
InChIKeyAOUCWIVSGHLRED-UHFFFAOYSA-N
XLogP3.00
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine (CID 155556377) is 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2ccnc(Nc3ccccc3)n2)n[nH]1.
What is the InChIKey of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is AOUCWIVSGHLRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-10-9-13(20-19-10)17-12-7-8-15-14(18-12)16-11-5-3-2-4-6-11/h2-9H,1H3,(H3,15,16,17,18,19,20).
What are the key properties of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine?
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 266.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 155556377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).