methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C11H20N4O — CID 156802158

IUPACmethanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2nccc(N)n2)C1.CO
InChIInChI=1S/C10H16N4.CH4O/c1-8-3-2-6-14(7-8)10-12-5-4-9(11)13-10;1-2/h4-5,8H,2-3,6-7H2,1H3,(H2,11,12,13);2H,1H3
InChIKeyJNAXUGGHHDOGHO-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.90
Rot. Bonds1

About methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 156802158) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Namemethanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID156802158
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Namemethanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2nccc(N)n2)C1.CO
InChIInChI=1S/C10H16N4.CH4O/c1-8-3-2-6-14(7-8)10-12-5-4-9(11)13-10;1-2/h4-5,8H,2-3,6-7H2,1H3,(H2,11,12,13);2H,1H3
InChIKeyJNAXUGGHHDOGHO-UHFFFAOYSA-N
XLogP0.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
CID 107229189
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
1-[4-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888860
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 156550348
(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 165390561
2-[(3R)-3-prop-2-enylpiperidin-1-yl]pyrimidin-4-amine
CID 156802230
(3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol
CID 72925819
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
CID 156538124
N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109311314
(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109302257

Frequently Asked Questions

What is the IUPAC name of methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 156802158) is methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CC1CCCN(c2nccc(N)n2)C1.CO.
What is the InChIKey of methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is JNAXUGGHHDOGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.CH4O/c1-8-3-2-6-14(7-8)10-12-5-4-9(11)13-10;1-2/h4-5,8H,2-3,6-7H2,1H3,(H2,11,12,13);2H,1H3.
What are the key properties of methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 224.31 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 156802158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).