2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

C18H30N4O — CID 133343974

IUPAC2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCCN(c2cc(NCC3(C)CCCCC3O)ncn2)C1
InChIInChI=1S/C18H30N4O/c1-14-6-5-9-22(11-14)17-10-16(20-13-21-17)19-12-18(2)8-4-3-7-15(18)23/h10,13-15,23H,3-9,11-12H2,1-2H3,(H,19,20,21)
InChIKeyVNXZIVPWZFEXMH-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.07
Rot. Bonds4

About 2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 133343974) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID133343974
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCCN(c2cc(NCC3(C)CCCCC3O)ncn2)C1
InChIInChI=1S/C18H30N4O/c1-14-6-5-9-22(11-14)17-10-16(20-13-21-17)19-12-18(2)8-4-3-7-15(18)23/h10,13-15,23H,3-9,11-12H2,1-2H3,(H,19,20,21)
InChIKeyVNXZIVPWZFEXMH-UHFFFAOYSA-N
XLogP3.07
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133459927
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate
CID 133299291
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133377833
2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol
CID 133343985
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133300410
N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133324617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 133343974) is 2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CC1CCCN(c2cc(NCC3(C)CCCCC3O)ncn2)C1.
What is the InChIKey of 2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is VNXZIVPWZFEXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14-6-5-9-22(11-14)17-10-16(20-13-21-17)19-12-18(2)8-4-3-7-15(18)23/h10,13-15,23H,3-9,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 318.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 133343974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).