6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

C12H20N4O — CID 66330187

IUPAC6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCN2CCCC2)ncn1
InChIInChI=1S/C12H20N4O/c1-2-17-12-9-11(14-10-15-12)13-5-8-16-6-3-4-7-16/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyZUQCXQOVJFNIAV-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.38
Rot. Bonds6

About 6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (PubChem CID 66330187) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
PubChem CID66330187
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCN2CCCC2)ncn1
InChIInChI=1S/C12H20N4O/c1-2-17-12-9-11(14-10-15-12)13-5-8-16-6-3-4-7-16/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyZUQCXQOVJFNIAV-UHFFFAOYSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80805097
6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 66325707
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
6-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine
CID 61241263
N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326640
6-ethoxy-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 133464381
2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 66318119
6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106325943
1-(2-chloroethyl)-4-(6-ethoxypyrimidin-4-yl)-1,4-diazepane
CID 66331346
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-N-propylpyrimidin-4-amine
CID 80870896
6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327797

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (CID 66330187) is 6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is CCOc1cc(NCCN2CCCC2)ncn1.
What is the InChIKey of 6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The InChIKey is ZUQCXQOVJFNIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-17-12-9-11(14-10-15-12)13-5-8-16-6-3-4-7-16/h9-10H,2-8H2,1H3,(H,13,14,15).
What are the key properties of 6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66330187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).