N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine

C14H24N4O — CID 112637065

IUPACN-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCCN2CCCCCC2)n1
InChIInChI=1S/C14H24N4O/c1-2-19-13-7-8-15-14(17-13)16-9-12-18-10-5-3-4-6-11-18/h7-8H,2-6,9-12H2,1H3,(H,15,16,17)
InChIKeyDZRPXOSQPKUVAT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine

N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine (PubChem CID 112637065) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
PubChem CID112637065
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCCN2CCCCCC2)n1
InChIInChI=1S/C14H24N4O/c1-2-19-13-7-8-15-14(17-13)16-9-12-18-10-5-3-4-6-11-18/h7-8H,2-6,9-12H2,1H3,(H,15,16,17)
InChIKeyDZRPXOSQPKUVAT-UHFFFAOYSA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-1-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637281
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 112637597
4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
CID 115974404
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447537
2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80833263
4-methoxy-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112683355
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 171989082
2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 173305313
4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637048
4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 162625969

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine (CID 112637065) is N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NCCN2CCCCCC2)n1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine?
The InChIKey is DZRPXOSQPKUVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-19-13-7-8-15-14(17-13)16-9-12-18-10-5-3-4-6-11-18/h7-8H,2-6,9-12H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine?
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112637065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).