N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine

C18H28N4 — CID 10236511

IUPACN,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
SMILESCc1c(NC2CC2)nc(C2CC2)nc1N1CCC(C)(C)CC1
InChIInChI=1S/C18H28N4/c1-12-15(19-14-6-7-14)20-16(13-4-5-13)21-17(12)22-10-8-18(2,3)9-11-22/h13-14H,4-11H2,1-3H3,(H,19,20,21)
InChIKeyCZSPDYBKOUOJCH-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.86
Rot. Bonds4

About N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine

N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine (PubChem CID 10236511) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
PubChem CID10236511
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
SMILESCc1c(NC2CC2)nc(C2CC2)nc1N1CCC(C)(C)CC1
InChIInChI=1S/C18H28N4/c1-12-15(19-14-6-7-14)20-16(13-4-5-13)21-17(12)22-10-8-18(2,3)9-11-22/h13-14H,4-11H2,1-3H3,(H,19,20,21)
InChIKeyCZSPDYBKOUOJCH-UHFFFAOYSA-N
XLogP3.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine?
The IUPAC name of N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine (CID 10236511) is N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine?
The canonical SMILES for N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine is Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC(C)(C)CC1.
What is the InChIKey of N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine?
The InChIKey is CZSPDYBKOUOJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-12-15(19-14-6-7-14)20-16(13-4-5-13)21-17(12)22-10-8-18(2,3)9-11-22/h13-14H,4-11H2,1-3H3,(H,19,20,21).
What are the key properties of N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine?
N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine has a molecular weight of 300.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 10236511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).