4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine

C14H22N4 — CID 80805119

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(N2CC3CCC2C3)n1
InChIInChI=1S/C14H22N4/c1-3-6-15-14-16-10(2)7-13(17-14)18-9-11-4-5-12(18)8-11/h7,11-12H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyACKJLWXDZAITIJ-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.60
Rot. Bonds4

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine

4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 80805119) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine
PubChem CID80805119
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(N2CC3CCC2C3)n1
InChIInChI=1S/C14H22N4/c1-3-6-15-14-16-10(2)7-13(17-14)18-9-11-4-5-12(18)8-11/h7,11-12H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyACKJLWXDZAITIJ-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpiperidin-1-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80766891
4-methyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056953
5-[(dimethylamino)methyl]-1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80832344
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80836941
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80791554
4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine
CID 80837570
4-methyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80835884
1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765391
6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine
CID 80805296
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-propylpyrimidin-2-amine
CID 80756884
4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80792256
4-methyl-N-propyl-6-(1,2,4-triazol-1-yl)pyrimidin-2-amine
CID 80853223

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine (CID 80805119) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(N2CC3CCC2C3)n1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is ACKJLWXDZAITIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-6-15-14-16-10(2)7-13(17-14)18-9-11-4-5-12(18)8-11/h7,11-12H,3-6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80805119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).