[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine

C13H21N5 — CID 107542111

IUPAC[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine
SMILESCN1C2CCC1CN(c1nccc(CN)n1)CC2
InChIInChI=1S/C13H21N5/c1-17-11-2-3-12(17)9-18(7-5-11)13-15-6-4-10(8-14)16-13/h4,6,11-12H,2-3,5,7-9,14H2,1H3
InChIKeyHWAKRHPTQXWADU-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.61
Rot. Bonds2

About [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine

[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine (PubChem CID 107542111) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine
PubChem CID107542111
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine
SMILESCN1C2CCC1CN(c1nccc(CN)n1)CC2
InChIInChI=1S/C13H21N5/c1-17-11-2-3-12(17)9-18(7-5-11)13-15-6-4-10(8-14)16-13/h4,6,11-12H,2-3,5,7-9,14H2,1H3
InChIKeyHWAKRHPTQXWADU-UHFFFAOYSA-N
XLogP0.61
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine
CID 113320423
[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542226
[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542321
[2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]methanamine
CID 107541477
[2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine
CID 107542244
(1S,6R)-9-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 133138519
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
4-[4-(aminomethyl)pyrimidin-2-yl]-1-methylpiperazin-2-one
CID 107542075
1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine
CID 83127559
(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine
CID 71643772
1-(4-propylpyrimidin-2-yl)piperidin-4-amine
CID 117224317
(3R)-1-[4-(methoxymethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 176625763

Frequently Asked Questions

What is the IUPAC name of [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine (CID 107542111) is [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine is CN1C2CCC1CN(c1nccc(CN)n1)CC2.
What is the InChIKey of [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine?
The InChIKey is HWAKRHPTQXWADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-17-11-2-3-12(17)9-18(7-5-11)13-15-6-4-10(8-14)16-13/h4,6,11-12H,2-3,5,7-9,14H2,1H3.
What are the key properties of [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine?
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine has a molecular weight of 247.35 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).