N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

C14H17BrN4S — CID 133300034

IUPACN-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESBrc1ccsc1CNc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C14H17BrN4S/c15-11-4-7-20-12(11)9-16-13-8-14(18-10-17-13)19-5-2-1-3-6-19/h4,7-8,10H,1-3,5-6,9H2,(H,16,17,18)
InChIKeyDGFMHFHXCAJGDA-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.90
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 133300034) has the molecular formula C14H17BrN4S and a molecular weight of 353.29 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID133300034
Molecular FormulaC14H17BrN4S
Molecular Weight353.29 g/mol
Exact Mass352.04
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESBrc1ccsc1CNc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C14H17BrN4S/c15-11-4-7-20-12(11)9-16-13-8-14(18-10-17-13)19-5-2-1-3-6-19/h4,7-8,10H,1-3,5-6,9H2,(H,16,17,18)
InChIKeyDGFMHFHXCAJGDA-UHFFFAOYSA-N
XLogP3.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297295
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297567
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397420
2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
CID 133448199
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 122282471

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 133300034) is N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is Brc1ccsc1CNc1cc(N2CCCCC2)ncn1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is DGFMHFHXCAJGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4S/c15-11-4-7-20-12(11)9-16-13-8-14(18-10-17-13)19-5-2-1-3-6-19/h4,7-8,10H,1-3,5-6,9H2,(H,16,17,18).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 353.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133300034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).