N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine

C15H19ClN4S — CID 172881651

IUPACN-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC2CCCN(Cc3ccc(Cl)s3)C2)n1
InChIInChI=1S/C15H19ClN4S/c1-11-6-7-17-15(18-11)19-12-3-2-8-20(9-12)10-13-4-5-14(16)21-13/h4-7,12H,2-3,8-10H2,1H3,(H,17,18,19)
InChIKeyLTHNTAKIFCFHFJ-UHFFFAOYSA-N
MW322.87 g/mol
LogP3.58
Rot. Bonds4

About N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine

N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine (PubChem CID 172881651) has the molecular formula C15H19ClN4S and a molecular weight of 322.87 g/mol. Its IUPAC name is N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
PubChem CID172881651
Molecular FormulaC15H19ClN4S
Molecular Weight322.87 g/mol
Exact Mass322.10
IUPAC NameN-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC2CCCN(Cc3ccc(Cl)s3)C2)n1
InChIInChI=1S/C15H19ClN4S/c1-11-6-7-17-15(18-11)19-12-3-2-8-20(9-12)10-13-4-5-14(16)21-13/h4-7,12H,2-3,8-10H2,1H3,(H,17,18,19)
InChIKeyLTHNTAKIFCFHFJ-UHFFFAOYSA-N
XLogP3.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.87
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-[(4-methylpyrimidin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 171994900
N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 172891849
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 171994115
N-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidin-2-amine
CID 172891915
4-(azepan-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 66903863
4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881622
N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 62581145
1-(azepan-1-yl)-2-[3-[(4-methylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone
CID 171993085
4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086216
3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 80679761
1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone
CID 63844771
4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95596178

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine (CID 172881651) is N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine is Cc1ccnc(NC2CCCN(Cc3ccc(Cl)s3)C2)n1.
What is the InChIKey of N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine?
The InChIKey is LTHNTAKIFCFHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4S/c1-11-6-7-17-15(18-11)19-12-3-2-8-20(9-12)10-13-4-5-14(16)21-13/h4-7,12H,2-3,8-10H2,1H3,(H,17,18,19).
What are the key properties of N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine?
N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine has a molecular weight of 322.87 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 172881651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).