N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine

C15H19ClN4S — CID 134927553

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine
SMILESClc1ccc(CN(CCN2CCCC2)c2ncccn2)s1
InChIInChI=1S/C15H19ClN4S/c16-14-5-4-13(21-14)12-20(15-17-6-3-7-18-15)11-10-19-8-1-2-9-19/h3-7H,1-2,8-12H2
InChIKeyZUJFHYISKCXXTC-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.29
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine (PubChem CID 134927553) has the molecular formula C15H19ClN4S and a molecular weight of 322.86 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine
PubChem CID134927553
Molecular FormulaC15H19ClN4S
Molecular Weight322.86 g/mol
Exact Mass322.10
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine
SMILESClc1ccc(CN(CCN2CCCC2)c2ncccn2)s1
InChIInChI=1S/C15H19ClN4S/c16-14-5-4-13(21-14)12-20(15-17-6-3-7-18-15)11-10-19-8-1-2-9-19/h3-7H,1-2,8-12H2
InChIKeyZUJFHYISKCXXTC-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N1-((5-Chloro-2-thienyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine
CID 8993
Chlorothen hydrochloride
CID 67410
4-(3-chloro-2-thienyl)-2-(1H-pyrrol-1-yl)pyrimidine
CID 4255524
(5-Chlorothiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1245529
4-(5-chloro-2-thienyl)-2-(1H-pyrrol-1-yl)pyrimidine
CID 4312367
5-[[3-imidazol-1-ylpropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyrimidin-2-amine
CID 16676765
(3aS,6aR)-4-pyrimidin-2-yl-1-(thiophen-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 98821197
2-(2-Thienyl)pyrimidine
CID 818965
2-(5-Chlorothiophen-2-yl)pyrimidin-5-amine
CID 43142300
Pyridine, 2-[(5-chloro-2-thienyl)(2-dimethylaminoethyl)amino]-
CID 171384518
1-[(5-Chlorothiophen-2-yl)methyl]-2-propylimidazole
CID 64153415
(2R)-1-[(5-chlorothiophen-2-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine
CID 96398296

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine (CID 134927553) is N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine is Clc1ccc(CN(CCN2CCCC2)c2ncccn2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine?
The InChIKey is ZUJFHYISKCXXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4S/c16-14-5-4-13(21-14)12-20(15-17-6-3-7-18-15)11-10-19-8-1-2-9-19/h3-7H,1-2,8-12H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine has a molecular weight of 322.86 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 134927553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).