4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine

C12H19N5 — CID 79916753

IUPAC4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine
SMILESCN1C2CCC1CN(c1ncncc1N)CC2
InChIInChI=1S/C12H19N5/c1-16-9-2-3-10(16)7-17(5-4-9)12-11(13)6-14-8-15-12/h6,8-10H,2-5,7,13H2,1H3
InChIKeyNPRQPFCEMHSVFD-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.73
Rot. Bonds1

About 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine

4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine (PubChem CID 79916753) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine
PubChem CID79916753
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine
SMILESCN1C2CCC1CN(c1ncncc1N)CC2
InChIInChI=1S/C12H19N5/c1-16-9-2-3-10(16)7-17(5-4-9)12-11(13)6-14-8-15-12/h6,8-10H,2-5,7,13H2,1H3
InChIKeyNPRQPFCEMHSVFD-UHFFFAOYSA-N
XLogP0.73
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine?
The IUPAC name of 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine (CID 79916753) is 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine is CN1C2CCC1CN(c1ncncc1N)CC2.
What is the InChIKey of 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine?
The InChIKey is NPRQPFCEMHSVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-16-9-2-3-10(16)7-17(5-4-9)12-11(13)6-14-8-15-12/h6,8-10H,2-5,7,13H2,1H3.
What are the key properties of 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine?
4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine has a molecular weight of 233.32 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine is sourced from PubChem (CID 79916753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).