8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C14H22N4 — CID 155740008

IUPAC8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCc1ccnc(N2C3CCC2CN(C(C)C)C3)n1
InChIInChI=1S/C14H22N4/c1-10(2)17-8-12-4-5-13(9-17)18(12)14-15-7-6-11(3)16-14/h6-7,10,12-13H,4-5,8-9H2,1-3H3
InChIKeyMHQVKLPEBXXQMH-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.85
Rot. Bonds2

About 8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 155740008) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID155740008
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCc1ccnc(N2C3CCC2CN(C(C)C)C3)n1
InChIInChI=1S/C14H22N4/c1-10(2)17-8-12-4-5-13(9-17)18(12)14-15-7-6-11(3)16-14/h6-7,10,12-13H,4-5,8-9H2,1-3H3
InChIKeyMHQVKLPEBXXQMH-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Pyrrolidinyl)-4-pyrimidinemethanamine
CID 53567848
1-(6-Methylpyrimidin-4-yl)piperidin-3-amine
CID 54592599
4-Methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 18364978
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 53565265
2-[3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-methylpyrimidine
CID 72868863
N-{[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl}-4-methylpyrimidin-2-amine
CID 72912703
4-Methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 73439388
N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide
CID 95808509
2-(1-Pyrimidin-4-ylpyrrolidin-2-yl)pyrazine
CID 110254320
N,N-dimethyl-6-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrazin-2-amine
CID 110257049
4,6-Dimethyl-2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine
CID 110257118
2-Methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine
CID 118740019

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 155740008) is 8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is Cc1ccnc(N2C3CCC2CN(C(C)C)C3)n1.
What is the InChIKey of 8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is MHQVKLPEBXXQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)17-8-12-4-5-13(9-17)18(12)14-15-7-6-11(3)16-14/h6-7,10,12-13H,4-5,8-9H2,1-3H3.
What are the key properties of 8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 246.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 155740008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).