6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine

C15H18BrN5 — CID 70209213

IUPAC6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
SMILESBrc1cccc(Nc2cc(NC3CCNCC3)ncn2)c1
InChIInChI=1S/C15H18BrN5/c16-11-2-1-3-13(8-11)21-15-9-14(18-10-19-15)20-12-4-6-17-7-5-12/h1-3,8-10,12,17H,4-7H2,(H2,18,19,20,21)
InChIKeyUOJRMCCGZBGPDY-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.15
Rot. Bonds4

About 6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine

6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine (PubChem CID 70209213) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
PubChem CID70209213
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
SMILESBrc1cccc(Nc2cc(NC3CCNCC3)ncn2)c1
InChIInChI=1S/C15H18BrN5/c16-11-2-1-3-13(8-11)21-15-9-14(18-10-19-15)20-12-4-6-17-7-5-12/h1-3,8-10,12,17H,4-7H2,(H2,18,19,20,21)
InChIKeyUOJRMCCGZBGPDY-UHFFFAOYSA-N
XLogP3.15
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 140978166
tert-butyl 4-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 70209006
N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928582
4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
CID 112856315
4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112863902
3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193173
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
N-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102186
4-N-(3-bromophenyl)-6-N-[3-(prop-2-enylamino)phenyl]pyrimidine-4,6-diamine
CID 151427006
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine (CID 70209213) is 6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine is Brc1cccc(Nc2cc(NC3CCNCC3)ncn2)c1.
What is the InChIKey of 6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
The InChIKey is UOJRMCCGZBGPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c16-11-2-1-3-13(8-11)21-15-9-14(18-10-19-15)20-12-4-6-17-7-5-12/h1-3,8-10,12,17H,4-7H2,(H2,18,19,20,21).
What are the key properties of 6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine has a molecular weight of 348.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 70209213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).