1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine

C11H18N4O — CID 103976631

IUPAC1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
SMILESCOc1cc(N2CCC(C(C)N)C2)ncn1
InChIInChI=1S/C11H18N4O/c1-8(12)9-3-4-15(6-9)10-5-11(16-2)14-7-13-10/h5,7-9H,3-4,6,12H2,1-2H3
InChIKeySQBRECFSDOUAJG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.66
Rot. Bonds3

About 1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine

1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 103976631) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
PubChem CID103976631
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
SMILESCOc1cc(N2CCC(C(C)N)C2)ncn1
InChIInChI=1S/C11H18N4O/c1-8(12)9-3-4-15(6-9)10-5-11(16-2)14-7-13-10/h5,7-9H,3-4,6,12H2,1-2H3
InChIKeySQBRECFSDOUAJG-UHFFFAOYSA-N
XLogP0.66
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
1-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]ethanamine
CID 115315845
4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine
CID 114682611
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114869616
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol
CID 172899245
1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine
CID 83981845
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
1-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976873
1-[1-(4-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 113360794
N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 171993839
1-[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 103976623
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
CID 95125854

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine (CID 103976631) is 1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine is COc1cc(N2CCC(C(C)N)C2)ncn1.
What is the InChIKey of 1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is SQBRECFSDOUAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(12)9-3-4-15(6-9)10-5-11(16-2)14-7-13-10/h5,7-9H,3-4,6,12H2,1-2H3.
What are the key properties of 1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine?
1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 222.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103976631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).