[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol

C16H20N2OS — CID 61449696

IUPAC[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C16H20N2OS/c1-11-8-12(2)17-16(15(11)10-19)18(13-5-6-13)9-14-4-3-7-20-14/h3-4,7-8,13,19H,5-6,9-10H2,1-2H3
InChIKeyIJHWKYIWOSTWHU-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.42
Rot. Bonds5

About [2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol

[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol (PubChem CID 61449696) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
PubChem CID61449696
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C16H20N2OS/c1-11-8-12(2)17-16(15(11)10-19)18(13-5-6-13)9-14-4-3-7-20-14/h3-4,7-8,13,19H,5-6,9-10H2,1-2H3
InChIKeyIJHWKYIWOSTWHU-UHFFFAOYSA-N
XLogP3.42
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol 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-[cyclopropyl(2-methoxyethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 54946432
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808866
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768951
N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80631053
6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 62863221
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61449188
5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 114215437
N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133335275
5-bromo-4-N-cyclopropyl-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809068
N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61448745

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol?
The IUPAC name of [2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol (CID 61449696) is [2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol?
The canonical SMILES for [2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol is Cc1cc(C)c(CO)c(N(Cc2cccs2)C2CC2)n1.
What is the InChIKey of [2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol?
The InChIKey is IJHWKYIWOSTWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-8-12(2)17-16(15(11)10-19)18(13-5-6-13)9-14-4-3-7-20-14/h3-4,7-8,13,19H,5-6,9-10H2,1-2H3.
What are the key properties of [2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol?
[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol has a molecular weight of 288.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol is sourced from PubChem (CID 61449696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).