N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine

C12H20N4O — CID 114600387

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine
SMILESCCN1CCC(CNc2ncc(OC)cn2)C1
InChIInChI=1S/C12H20N4O/c1-3-16-5-4-10(9-16)6-13-12-14-7-11(17-2)8-15-12/h7-8,10H,3-6,9H2,1-2H3,(H,13,14,15)
InChIKeyCTNDQOKRWFTZOT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.24
Rot. Bonds5

About N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine (PubChem CID 114600387) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine
PubChem CID114600387
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine
SMILESCCN1CCC(CNc2ncc(OC)cn2)C1
InChIInChI=1S/C12H20N4O/c1-3-16-5-4-10(9-16)6-13-12-14-7-11(17-2)8-15-12/h7-8,10H,3-6,9H2,1-2H3,(H,13,14,15)
InChIKeyCTNDQOKRWFTZOT-UHFFFAOYSA-N
XLogP1.24
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine (CID 114600387) is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine is CCN1CCC(CNc2ncc(OC)cn2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine?
The InChIKey is CTNDQOKRWFTZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16-5-4-10(9-16)6-13-12-14-7-11(17-2)8-15-12/h7-8,10H,3-6,9H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 114600387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).