N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine

C15H19N3S — CID 107589464

IUPACN-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(-c2cncnc2)s1)C1CC1
InChIInChI=1S/C15H19N3S/c1-2-7-18-15(11-3-4-11)14-6-5-13(19-14)12-8-16-10-17-9-12/h5-6,8-11,15,18H,2-4,7H2,1H3
InChIKeyRRNORIJWOBFFML-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.66
Rot. Bonds6

About N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine

N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 107589464) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine
PubChem CID107589464
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(-c2cncnc2)s1)C1CC1
InChIInChI=1S/C15H19N3S/c1-2-7-18-15(11-3-4-11)14-6-5-13(19-14)12-8-16-10-17-9-12/h5-6,8-11,15,18H,2-4,7H2,1H3
InChIKeyRRNORIJWOBFFML-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
CID 63400645
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 107368903
cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine
CID 107589478
N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287494
N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 103481065
N-[cyclopropyl-[5-(4-iodophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288082
N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288281
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
N-[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63504364
N-[cyclopropyl-[5-(3-fluoro-4-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287726
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine (CID 107589464) is N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(-c2cncnc2)s1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is RRNORIJWOBFFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-7-18-15(11-3-4-11)14-6-5-13(19-14)12-8-16-10-17-9-12/h5-6,8-11,15,18H,2-4,7H2,1H3.
What are the key properties of N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine?
N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107589464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).