3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine

C12H20N4O — CID 55243745

IUPAC3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
SMILESCOc1ccnc(N2CCCC2CCCN)n1
InChIInChI=1S/C12H20N4O/c1-17-11-6-8-14-12(15-11)16-9-3-5-10(16)4-2-7-13/h6,8,10H,2-5,7,9,13H2,1H3
InChIKeyLNHYHUCHJWMDCX-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.19
Rot. Bonds5

About 3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine

3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 55243745) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
PubChem CID55243745
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
SMILESCOc1ccnc(N2CCCC2CCCN)n1
InChIInChI=1S/C12H20N4O/c1-17-11-6-8-14-12(15-11)16-9-3-5-10(16)4-2-7-13/h6,8,10H,2-5,7,9,13H2,1H3
InChIKeyLNHYHUCHJWMDCX-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63767242
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine
CID 133376942
3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
CID 55241037
N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591275
4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 95764298
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 95317595
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63761067
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine
CID 62587593
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 80679897

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine (CID 55243745) is 3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine is COc1ccnc(N2CCCC2CCCN)n1.
What is the InChIKey of 3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is LNHYHUCHJWMDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-17-11-6-8-14-12(15-11)16-9-3-5-10(16)4-2-7-13/h6,8,10H,2-5,7,9,13H2,1H3.
What are the key properties of 3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 236.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 55243745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).