N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

C16H19BrN4 — CID 133304157

IUPACN-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESBrc1cccc(CNc2cc(N3CCCCC3)ncn2)c1
InChIInChI=1S/C16H19BrN4/c17-14-6-4-5-13(9-14)11-18-15-10-16(20-12-19-15)21-7-2-1-3-8-21/h4-6,9-10,12H,1-3,7-8,11H2,(H,18,19,20)
InChIKeyUTCVLHRBGNTFAM-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.84
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 133304157) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID133304157
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC NameN-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESBrc1cccc(CNc2cc(N3CCCCC3)ncn2)c1
InChIInChI=1S/C16H19BrN4/c17-14-6-4-5-13(9-14)11-18-15-10-16(20-12-19-15)21-7-2-1-3-8-21/h4-6,9-10,12H,1-3,7-8,11H2,(H,18,19,20)
InChIKeyUTCVLHRBGNTFAM-UHFFFAOYSA-N
XLogP3.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 122282471
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297513
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297295
2-[[6-[(3-bromophenyl)methylamino]pyrimidin-4-yl]amino]acetonitrile
CID 115264865
N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327634
3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
CID 133297097
N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133300034
N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676391
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 133304157) is N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is Brc1cccc(CNc2cc(N3CCCCC3)ncn2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is UTCVLHRBGNTFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c17-14-6-4-5-13(9-14)11-18-15-10-16(20-12-19-15)21-7-2-1-3-8-21/h4-6,9-10,12H,1-3,7-8,11H2,(H,18,19,20).
What are the key properties of N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 347.26 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133304157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).