[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine

C12H20N4O — CID 66334205

IUPAC[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCCCOc1cc(N2CCC(CN)C2)ncn1
InChIInChI=1S/C12H20N4O/c1-2-5-17-12-6-11(14-9-15-12)16-4-3-10(7-13)8-16/h6,9-10H,2-5,7-8,13H2,1H3
InChIKeyQGVCGMDHNBGQSC-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.05
Rot. Bonds5

About [1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine

[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 66334205) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID66334205
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCCCOc1cc(N2CCC(CN)C2)ncn1
InChIInChI=1S/C12H20N4O/c1-2-5-17-12-6-11(14-9-15-12)16-4-3-10(7-13)8-16/h6,9-10H,2-5,7-8,13H2,1H3
InChIKeyQGVCGMDHNBGQSC-UHFFFAOYSA-N
XLogP1.05
TPSA64.27 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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine (CID 66334205) is [1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine is CCCOc1cc(N2CCC(CN)C2)ncn1.
What is the InChIKey of [1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is QGVCGMDHNBGQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-5-17-12-6-11(14-9-15-12)16-4-3-10(7-13)8-16/h6,9-10H,2-5,7-8,13H2,1H3.
What are the key properties of [1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 66334205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).