4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine

C14H24N4O — CID 125447537

IUPAC4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCC[C@@H]2CCCN(C)C2)n1
InChIInChI=1S/C14H24N4O/c1-3-19-13-7-9-16-14(17-13)15-8-6-12-5-4-10-18(2)11-12/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeyFVCHIBZVAYTXFL-LBPRGKRZSA-N
MW264.37 g/mol
LogP2.02
Rot. Bonds6

About 4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine

4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine (PubChem CID 125447537) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
PubChem CID125447537
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCC[C@@H]2CCCN(C)C2)n1
InChIInChI=1S/C14H24N4O/c1-3-19-13-7-9-16-14(17-13)15-8-6-12-5-4-10-18(2)11-12/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeyFVCHIBZVAYTXFL-LBPRGKRZSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
CID 112637806
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
CID 115974404
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine
CID 115974598
4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637048
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401
4-propoxy-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794433
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 114516944
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine (CID 125447537) is 4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine is CCOc1ccnc(NCC[C@@H]2CCCN(C)C2)n1.
What is the InChIKey of 4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine?
The InChIKey is FVCHIBZVAYTXFL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-19-13-7-9-16-14(17-13)15-8-6-12-5-4-10-18(2)11-12/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,15,16,17)/t12-/m0/s1.
What are the key properties of 4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine?
4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 125447537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).