8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane

C13H20N4 — CID 131639613

IUPAC8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CN(c1ncccn1)C2
InChIInChI=1S/C13H20N4/c1-10(2)17-11-4-5-12(17)9-16(8-11)13-14-6-3-7-15-13/h3,6-7,10-12H,4-5,8-9H2,1-2H3
InChIKeyWQHWISMEWDDSIA-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.54
Rot. Bonds2

About 8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane

8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 131639613) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID131639613
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CN(c1ncccn1)C2
InChIInChI=1S/C13H20N4/c1-10(2)17-11-4-5-12(17)9-16(8-11)13-14-6-3-7-15-13/h3,6-7,10-12H,4-5,8-9H2,1-2H3
InChIKeyWQHWISMEWDDSIA-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227085
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
2-(Piperidin-1-yl)pyrimidine
CID 11446518
2-[4-(Propan-2-yl)piperazin-1-yl]pyrimidine
CID 13375504
1-(Pyrimidin-2-yl)piperidin-4-amine
CID 4778233
2-{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-pyrimidine
CID 6603034
9-Methyl-3-pyrimidin-5-yl-3,9-diazabicyclo[4.2.1]nonane
CID 44304742
4-(2-Pyrimidinyl)-1-piperazinebutanamine
CID 12840705
2-[4-(4-Methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 784284
8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane
CID 657506

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 131639613) is 8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1C2CCC1CN(c1ncccn1)C2.
What is the InChIKey of 8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is WQHWISMEWDDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10(2)17-11-4-5-12(17)9-16(8-11)13-14-6-3-7-15-13/h3,6-7,10-12H,4-5,8-9H2,1-2H3.
What are the key properties of 8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane?
8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 232.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-3-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 131639613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).