1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine

C11H18N4O — CID 103535803

IUPAC1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCC(OC)C2)nc1
InChIInChI=1S/C11H18N4O/c1-12-5-9-6-13-11(14-7-9)15-4-3-10(8-15)16-2/h6-7,10,12H,3-5,8H2,1-2H3
InChIKeyLXZCKGOJSLQTDF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.42
Rot. Bonds4

About 1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine

1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 103535803) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID103535803
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCC(OC)C2)nc1
InChIInChI=1S/C11H18N4O/c1-12-5-9-6-13-11(14-7-9)15-4-3-10(8-15)16-2/h6-7,10,12H,3-5,8H2,1-2H3
InChIKeyLXZCKGOJSLQTDF-UHFFFAOYSA-N
XLogP0.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 126853062
1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 103539385
N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
CID 62756397
(E)-3-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]prop-2-enoic acid
CID 103536011
5-fluoro-2-(3-methoxypiperidin-1-yl)pyrimidine
CID 134532206
2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163348119
(E)-3-fluoro-2-[[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]oxymethyl]prop-2-en-1-amine
CID 134254328
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 102961289
1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 114679313
[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542321
3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 103356934
2-[1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol
CID 114798536

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine (CID 103535803) is 1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(N2CCC(OC)C2)nc1.
What is the InChIKey of 1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is LXZCKGOJSLQTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-12-5-9-6-13-11(14-7-9)15-4-3-10(8-15)16-2/h6-7,10,12H,3-5,8H2,1-2H3.
What are the key properties of 1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine?
1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 222.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 103535803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).