4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine

C14H24N4 — CID 113442061

IUPAC4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCCC1CCCCCN1c1cc(C)nc(NC)n1
InChIInChI=1S/C14H24N4/c1-4-12-8-6-5-7-9-18(12)13-10-11(2)16-14(15-3)17-13/h10,12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyMUTGGEJKDPHJEP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.99
Rot. Bonds3

About 4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine

4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine (PubChem CID 113442061) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
PubChem CID113442061
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCCC1CCCCCN1c1cc(C)nc(NC)n1
InChIInChI=1S/C14H24N4/c1-4-12-8-6-5-7-9-18(12)13-10-11(2)16-14(15-3)17-13/h10,12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyMUTGGEJKDPHJEP-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925937
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825077
1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859
4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
CID 112915344
N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925948
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 112925932
N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112921818
4-methyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056953
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 112925899
4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112914013

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine (CID 113442061) is 4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine is CCC1CCCCCN1c1cc(C)nc(NC)n1.
What is the InChIKey of 4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is MUTGGEJKDPHJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-12-8-6-5-7-9-18(12)13-10-11(2)16-14(15-3)17-13/h10,12H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine?
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 113442061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).