6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine

C20H32N4O — CID 133377833

IUPAC6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2cc(NC3CCOC4(CCCCC4)C3)ncn2)C1
InChIInChI=1S/C20H32N4O/c1-16-6-5-10-24(14-16)19-12-18(21-15-22-19)23-17-7-11-25-20(13-17)8-3-2-4-9-20/h12,15-17H,2-11,13-14H2,1H3,(H,21,22,23)
InChIKeyBRVUQMUGJONOPK-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.01
Rot. Bonds3

About 6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine

6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine (PubChem CID 133377833) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
PubChem CID133377833
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2cc(NC3CCOC4(CCCCC4)C3)ncn2)C1
InChIInChI=1S/C20H32N4O/c1-16-6-5-10-24(14-16)19-12-18(21-15-22-19)23-17-7-11-25-20(13-17)8-3-2-4-9-20/h12,15-17H,2-11,13-14H2,1H3,(H,21,22,23)
InChIKeyBRVUQMUGJONOPK-UHFFFAOYSA-N
XLogP4.01
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine with MolForge

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Related Compounds

N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133459927
2-methyl-2-[[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 133343974
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
CID 115265252
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760
N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine
CID 97255600
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112864416
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
2-(methoxymethyl)-6-methyl-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]pyrimidin-4-amine
CID 98559254

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine (CID 133377833) is 6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine is CC1CCCN(c2cc(NC3CCOC4(CCCCC4)C3)ncn2)C1.
What is the InChIKey of 6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine?
The InChIKey is BRVUQMUGJONOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16-6-5-10-24(14-16)19-12-18(21-15-22-19)23-17-7-11-25-20(13-17)8-3-2-4-9-20/h12,15-17H,2-11,13-14H2,1H3,(H,21,22,23).
What are the key properties of 6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine?
6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine has a molecular weight of 344.50 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidin-1-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 133377833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).