5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine

C14H18N6 — CID 137491959

IUPAC5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3ccccc3)CC2)c(N)n1
InChIInChI=1S/C14H18N6/c15-13-12(10-17-14(16)18-13)20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H4,15,16,17,18)
InChIKeyIPZOXRSTVKZPHN-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.97
Rot. Bonds2

About 5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine

5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 137491959) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID137491959
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3ccccc3)CC2)c(N)n1
InChIInChI=1S/C14H18N6/c15-13-12(10-17-14(16)18-13)20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H4,15,16,17,18)
InChIKeyIPZOXRSTVKZPHN-UHFFFAOYSA-N
XLogP0.97
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
N-2-Pyridylaniline
CID 81130
Amprolium ion
CID 2178
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
2-Chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 1911255
2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine
CID 212817
N-benzylpyrimidin-5-amine
CID 819920
2-N-phenylpyridine-2,3-diamine
CID 10679091
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 667926
5-fluoro-N,N'-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
2,4-Disubstituted Pyrimidine 4b
CID 5329431

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 137491959) is 5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine is Nc1ncc(N2CCN(c3ccccc3)CC2)c(N)n1.
What is the InChIKey of 5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is IPZOXRSTVKZPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c15-13-12(10-17-14(16)18-13)20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H4,15,16,17,18).
What are the key properties of 5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine?
5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 270.34 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 137491959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).