2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C20H19N7 — CID 162531382

IUPAC2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccnc(-c3cncc(NCc4ccccc4)c3)n2)n[nH]1
InChIInChI=1S/C20H19N7/c1-14-9-19(27-26-14)24-18-7-8-22-20(25-18)16-10-17(13-21-12-16)23-11-15-5-3-2-4-6-15/h2-10,12-13,23H,11H2,1H3,(H2,22,24,25,26,27)
InChIKeyKTSFTHHYPRTKRR-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.93
Rot. Bonds6

About 2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 162531382) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID162531382
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccnc(-c3cncc(NCc4ccccc4)c3)n2)n[nH]1
InChIInChI=1S/C20H19N7/c1-14-9-19(27-26-14)24-18-7-8-22-20(25-18)16-10-17(13-21-12-16)23-11-15-5-3-2-4-6-15/h2-10,12-13,23H,11H2,1H3,(H2,22,24,25,26,27)
InChIKeyKTSFTHHYPRTKRR-UHFFFAOYSA-N
XLogP3.93
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 162531382) is 2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2ccnc(-c3cncc(NCc4ccccc4)c3)n2)n[nH]1.
What is the InChIKey of 2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is KTSFTHHYPRTKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-14-9-19(27-26-14)24-18-7-8-22-20(25-18)16-10-17(13-21-12-16)23-11-15-5-3-2-4-6-15/h2-10,12-13,23H,11H2,1H3,(H2,22,24,25,26,27).
What are the key properties of 2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 357.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(benzylamino)-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 162531382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).