2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine

C19H22N4S — CID 42641302

IUPAC2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
SMILESCCN1CCCC1CNc1ccnc(-c2cc3ccccc3s2)n1
InChIInChI=1S/C19H22N4S/c1-2-23-11-5-7-15(23)13-21-18-9-10-20-19(22-18)17-12-14-6-3-4-8-16(14)24-17/h3-4,6,8-10,12,15H,2,5,7,11,13H2,1H3,(H,20,21,22)
InChIKeyNJCGXRSIHMURIC-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.25
Rot. Bonds5

About 2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine

2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 42641302) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
PubChem CID42641302
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
SMILESCCN1CCCC1CNc1ccnc(-c2cc3ccccc3s2)n1
InChIInChI=1S/C19H22N4S/c1-2-23-11-5-7-15(23)13-21-18-9-10-20-19(22-18)17-12-14-6-3-4-8-16(14)24-17/h3-4,6,8-10,12,15H,2,5,7,11,13H2,1H3,(H,20,21,22)
InChIKeyNJCGXRSIHMURIC-UHFFFAOYSA-N
XLogP4.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 114909627
3-[[2-(1-benzothiophen-2-yl)pyrimidin-4-yl]amino]propan-1-ol
CID 42641072
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-phenylpyrimidin-4-amine
CID 143955101
2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile
CID 63885618
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002
2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
CID 43450881
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 131930538
2-cyclopropyl-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 133417422
1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol
CID 106537369
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142582
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80777612

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine (CID 42641302) is 2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine is CCN1CCCC1CNc1ccnc(-c2cc3ccccc3s2)n1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is NJCGXRSIHMURIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-2-23-11-5-7-15(23)13-21-18-9-10-20-19(22-18)17-12-14-6-3-4-8-16(14)24-17/h3-4,6,8-10,12,15H,2,5,7,11,13H2,1H3,(H,20,21,22).
What are the key properties of 2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 338.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 42641302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).