N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

C19H20N6 — CID 112898748

IUPACN-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESc1ccc(Nc2nccc(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C19H20N6/c1-2-6-16(7-3-1)22-19-21-11-9-18(23-19)25-14-12-24(13-15-25)17-8-4-5-10-20-17/h1-11H,12-15H2,(H,21,22,23)
InChIKeyDQRLAQOXURVJSR-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.94
Rot. Bonds4

About N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112898748) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112898748
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC NameN-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESc1ccc(Nc2nccc(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C19H20N6/c1-2-6-16(7-3-1)22-19-21-11-9-18(23-19)25-14-12-24(13-15-25)17-8-4-5-10-20-17/h1-11H,12-15H2,(H,21,22,23)
InChIKeyDQRLAQOXURVJSR-UHFFFAOYSA-N
XLogP2.94
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310580
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785
N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321
N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896423
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898736
N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112898562
2-methyl-N-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875519
N-[(4-methylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112890443
4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 58432936
N-(3-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898966
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (CID 112898748) is N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is c1ccc(Nc2nccc(N3CCN(c4ccccn4)CC3)n2)cc1.
What is the InChIKey of N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is DQRLAQOXURVJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-2-6-16(7-3-1)22-19-21-11-9-18(23-19)25-14-12-24(13-15-25)17-8-4-5-10-20-17/h1-11H,12-15H2,(H,21,22,23).
What are the key properties of N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112898748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).