N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C16H26N4O — CID 133459927

IUPACN-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOC1(CNc2cc(N3CCCC(C)C3)ncn2)CCC1
InChIInChI=1S/C16H26N4O/c1-13-5-3-8-20(10-13)15-9-14(18-12-19-15)17-11-16(21-2)6-4-7-16/h9,12-13H,3-8,10-11H2,1-2H3,(H,17,18,19)
InChIKeyDHBUCGXRWWZDJP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.69
Rot. Bonds5

About N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 133459927) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID133459927
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOC1(CNc2cc(N3CCCC(C)C3)ncn2)CCC1
InChIInChI=1S/C16H26N4O/c1-13-5-3-8-20(10-13)15-9-14(18-12-19-15)17-11-16(21-2)6-4-7-16/h9,12-13H,3-8,10-11H2,1-2H3,(H,17,18,19)
InChIKeyDHBUCGXRWWZDJP-UHFFFAOYSA-N
XLogP2.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 133343974
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate
CID 133299291
N-[2-(2-methoxyphenoxy)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133324617
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133300410
6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133377833
6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590145
N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112864416

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 133459927) is N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is COC1(CNc2cc(N3CCCC(C)C3)ncn2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is DHBUCGXRWWZDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-5-3-8-20(10-13)15-9-14(18-12-19-15)17-11-16(21-2)6-4-7-16/h9,12-13H,3-8,10-11H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 133459927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).