N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine

C13H22N4O — CID 80806713

IUPACN-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCCCOC1CCCN(c2cc(NC)ncn2)C1
InChIInChI=1S/C13H22N4O/c1-3-7-18-11-5-4-6-17(9-11)13-8-12(14-2)15-10-16-13/h8,10-11H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyUZKQGTMXNDCBKI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.91
Rot. Bonds5

About N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine

N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine (PubChem CID 80806713) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
PubChem CID80806713
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCCCOC1CCCN(c2cc(NC)ncn2)C1
InChIInChI=1S/C13H22N4O/c1-3-7-18-11-5-4-6-17(9-11)13-8-12(14-2)15-10-16-13/h8,10-11H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyUZKQGTMXNDCBKI-UHFFFAOYSA-N
XLogP1.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-ethoxypiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80905232
6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590145
N-methyl-1-[6-(3-propoxypiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66451853
N-[[2-(3-propoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62287493
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80806981
3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine
CID 54989826
4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine
CID 63022907
2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 83073559
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82693758
2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957706

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine (CID 80806713) is N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine is CCCOC1CCCN(c2cc(NC)ncn2)C1.
What is the InChIKey of N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is UZKQGTMXNDCBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-7-18-11-5-4-6-17(9-11)13-8-12(14-2)15-10-16-13/h8,10-11H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine?
N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80806713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).