N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine

C14H17N5 — CID 82513989

IUPACN-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
SMILESc1cnc(Nc2ccc(N3CCNCC3)cc2)nc1
InChIInChI=1S/C14H17N5/c1-6-16-14(17-7-1)18-12-2-4-13(5-3-12)19-10-8-15-9-11-19/h1-7,15H,8-11H2,(H,16,17,18)
InChIKeyPLLICGUAHXXVSR-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.63
Rot. Bonds3

About N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine

N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine (PubChem CID 82513989) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
PubChem CID82513989
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC NameN-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
SMILESc1cnc(Nc2ccc(N3CCNCC3)cc2)nc1
InChIInChI=1S/C14H17N5/c1-6-16-14(17-7-1)18-12-2-4-13(5-3-12)19-10-8-15-9-11-19/h1-7,15H,8-11H2,(H,16,17,18)
InChIKeyPLLICGUAHXXVSR-UHFFFAOYSA-N
XLogP1.63
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 82513961
1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol
CID 123614324
2-(4-piperazin-1-ylanilino)pyrimidine-4-carboxamide
CID 69247814
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 10090332
N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
CID 141441950
4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 141131245
4-(2-methyl-1-prop-1-en-2-ylsulfanylprop-1-enyl)-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 143054066
5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 141037394
N-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]pyrimidin-2-amine
CID 141392333
3-N-(4-piperazin-1-ylphenyl)-1-pyrimidin-4-yl-1,2,4-triazole-3,5-diamine
CID 58976203
8-methyl-2-(4-piperazin-1-ylanilino)-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
CID 142733067
N-ethyl-4-methyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 24752189

Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine?
The IUPAC name of N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine (CID 82513989) is N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine is c1cnc(Nc2ccc(N3CCNCC3)cc2)nc1.
What is the InChIKey of N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine?
The InChIKey is PLLICGUAHXXVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-6-16-14(17-7-1)18-12-2-4-13(5-3-12)19-10-8-15-9-11-19/h1-7,15H,8-11H2,(H,16,17,18).
What are the key properties of N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine?
N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine has a molecular weight of 255.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 82513989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).