4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine

C14H24N4O — CID 112637597

IUPAC4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C14H24N4O/c1-3-19-13-6-7-15-14(17-13)16-10-12(2)11-18-8-4-5-9-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,15,16,17)
InChIKeyANFIVCLXSUQVSB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.02
Rot. Bonds7

About 4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine

4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine (PubChem CID 112637597) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
PubChem CID112637597
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C14H24N4O/c1-3-19-13-6-7-15-14(17-13)16-10-12(2)11-18-8-4-5-9-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,15,16,17)
InChIKeyANFIVCLXSUQVSB-UHFFFAOYSA-N
XLogP2.02
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine
CID 115975017
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile
CID 107544433
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid
CID 107553892
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900
4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 62994572
4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine
CID 115975019
N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 115974723
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 133297711
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
N-(2-piperidin-1-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637281
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine (CID 112637597) is 4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine is CCOc1ccnc(NCC(C)CN2CCCC2)n1.
What is the InChIKey of 4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
The InChIKey is ANFIVCLXSUQVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-19-13-6-7-15-14(17-13)16-10-12(2)11-18-8-4-5-9-18/h6-7,12H,3-5,8-11H2,1-2H3,(H,15,16,17).
What are the key properties of 4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 112637597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).