2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine

C14H19N3OS — CID 107783250

IUPAC2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCc1occc1Sc1ncc(CNCC(C)C)cn1
InChIInChI=1S/C14H19N3OS/c1-10(2)6-15-7-12-8-16-14(17-9-12)19-13-4-5-18-11(13)3/h4-5,8-10,15H,6-7H2,1-3H3
InChIKeyGDDNZJWWPOLHNA-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.27
Rot. Bonds6

About 2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine

2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 107783250) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine
PubChem CID107783250
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCc1occc1Sc1ncc(CNCC(C)C)cn1
InChIInChI=1S/C14H19N3OS/c1-10(2)6-15-7-12-8-16-14(17-9-12)19-13-4-5-18-11(13)3/h4-5,8-10,15H,6-7H2,1-3H3
InChIKeyGDDNZJWWPOLHNA-UHFFFAOYSA-N
XLogP3.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]propan-1-amine
CID 107783303
4-methyl-2-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 136825905
N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]ethanamine
CID 107783272
N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62758071
2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62756426
2-methyl-N-[[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65137560
2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol
CID 107772150
2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine
CID 80639485
N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62757153
1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol
CID 106670519

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine (CID 107783250) is 2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine is Cc1occc1Sc1ncc(CNCC(C)C)cn1.
What is the InChIKey of 2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is GDDNZJWWPOLHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(2)6-15-7-12-8-16-14(17-9-12)19-13-4-5-18-11(13)3/h4-5,8-10,15H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylfuran-3-yl)sulfanylpyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 107783250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).