[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine

C12H20N4 — CID 107542053

IUPAC[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine
SMILESCC1CCCCCN1c1nccc(CN)n1
InChIInChI=1S/C12H20N4/c1-10-5-3-2-4-8-16(10)12-14-7-6-11(9-13)15-12/h6-7,10H,2-5,8-9,13H2,1H3
InChIKeyMIQXOFFTTFDBIR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.70
Rot. Bonds2

About [2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine

[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine (PubChem CID 107542053) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine
PubChem CID107542053
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine
SMILESCC1CCCCCN1c1nccc(CN)n1
InChIInChI=1S/C12H20N4/c1-10-5-3-2-4-8-16(10)12-14-7-6-11(9-13)15-12/h6-7,10H,2-5,8-9,13H2,1H3
InChIKeyMIQXOFFTTFDBIR-UHFFFAOYSA-N
XLogP1.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 175877318
N'-[2-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 129497977
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidin-4-yl]methanamine
CID 107542080
[2-(2,4-dimethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542257
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279135
2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
CID 11893825
[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542226
[4-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]methanamine
CID 97053137
[4-[(2-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888634
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine (CID 107542053) is [2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine is CC1CCCCCN1c1nccc(CN)n1.
What is the InChIKey of [2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine?
The InChIKey is MIQXOFFTTFDBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-5-3-2-4-8-16(10)12-14-7-6-11(9-13)15-12/h6-7,10H,2-5,8-9,13H2,1H3.
What are the key properties of [2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine?
[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).