N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

C14H19N3S — CID 113329640

IUPACN-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)n1)c1ccc(C)s1
InChIInChI=1S/C14H19N3S/c1-4-8-16-14(13-6-5-10(2)18-13)12-7-9-15-11(3)17-12/h5-7,9,14,16H,4,8H2,1-3H3
InChIKeyLGAMDFOPKZHYMQ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.24
Rot. Bonds5

About N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 113329640) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID113329640
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)n1)c1ccc(C)s1
InChIInChI=1S/C14H19N3S/c1-4-8-16-14(13-6-5-10(2)18-13)12-7-9-15-11(3)17-12/h5-7,9,14,16H,4,8H2,1-3H3
InChIKeyLGAMDFOPKZHYMQ-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531140
N-[(4-bromothiophen-3-yl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530960
N-[(3-methoxypyrazin-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105031971
N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530971
N-[(2,6-difluoro-3-methylphenyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 82803166
N-[(2-chlorofuran-3-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 106684250
N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105161984
N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143320
N-[(2,6-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494208
N-[(2,4-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494187
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 61347758
N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63506843

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 113329640) is N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccnc(C)n1)c1ccc(C)s1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is LGAMDFOPKZHYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-8-16-14(13-6-5-10(2)18-13)12-7-9-15-11(3)17-12/h5-7,9,14,16H,4,8H2,1-3H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 113329640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).