[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol

C12H17ClN2O — CID 114920412

IUPAC[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol
SMILESCC1CC1CN(C)c1cc(CO)c(Cl)cn1
InChIInChI=1S/C12H17ClN2O/c1-8-3-9(8)6-15(2)12-4-10(7-16)11(13)5-14-12/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKeyLIMSFXRZSVRKHN-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.32
Rot. Bonds4

About [5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol

[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol (PubChem CID 114920412) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol
PubChem CID114920412
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol
SMILESCC1CC1CN(C)c1cc(CO)c(Cl)cn1
InChIInChI=1S/C12H17ClN2O/c1-8-3-9(8)6-15(2)12-4-10(7-16)11(13)5-14-12/h4-5,8-9,16H,3,6-7H2,1-2H3
InChIKeyLIMSFXRZSVRKHN-UHFFFAOYSA-N
XLogP2.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 114921067
[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920404
[5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 114920398
6-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 63860661
[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol
CID 63864667
[5-chloro-2-(diethylamino)-4-pyridinyl]methanol
CID 114920176
[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol
CID 114920252
[5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920233
6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 63860494
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 80838310
[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 114920211
6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 63866672

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol (CID 114920412) is [5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol is CC1CC1CN(C)c1cc(CO)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol?
The InChIKey is LIMSFXRZSVRKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-3-9(8)6-15(2)12-4-10(7-16)11(13)5-14-12/h4-5,8-9,16H,3,6-7H2,1-2H3.
What are the key properties of [5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol?
[5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol has a molecular weight of 240.73 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-4-pyridinyl]methanol is sourced from PubChem (CID 114920412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).