2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine

C20H34N4O — CID 133412075

IUPAC2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NC2CCN(C3CCCC3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C20H34N4O/c1-20(2,3)19-22-16(14-25-4)13-18(23-19)21-15-9-11-24(12-10-15)17-7-5-6-8-17/h13,15,17H,5-12,14H2,1-4H3,(H,21,22,23)
InChIKeyJTSYCBDUAYDQLF-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.74
Rot. Bonds5

About 2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine

2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 133412075) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID133412075
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NC2CCN(C3CCCC3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C20H34N4O/c1-20(2,3)19-22-16(14-25-4)13-18(23-19)21-15-9-11-24(12-10-15)17-7-5-6-8-17/h13,15,17H,5-12,14H2,1-4H3,(H,21,22,23)
InChIKeyJTSYCBDUAYDQLF-UHFFFAOYSA-N
XLogP3.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133401190
[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol
CID 133412384
2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133412333
2-tert-butyl-N-(1-cyclopropylpiperidin-4-yl)pyrimidin-4-amine
CID 133333719
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 133400878
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-3-yl]azepane
CID 133401629
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
CID 133412286
2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80968131
2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456937
2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine
CID 133402718
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-(oxan-4-yl)-1,4-diazepane
CID 133402150
[(1S,4R)-4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopent-2-en-1-yl]methanol
CID 133402823

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine (CID 133412075) is 2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NC2CCN(C3CCCC3)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is JTSYCBDUAYDQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-20(2,3)19-22-16(14-25-4)13-18(23-19)21-15-9-11-24(12-10-15)17-7-5-6-8-17/h13,15,17H,5-12,14H2,1-4H3,(H,21,22,23).
What are the key properties of 2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine?
2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 346.52 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 133412075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).