1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine

C12H20N4 — CID 156651528

IUPAC1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCCc1ccnc(N2CCC(CNC)C2)n1
InChIInChI=1S/C12H20N4/c1-3-11-4-6-14-12(15-11)16-7-5-10(9-16)8-13-2/h4,6,10,13H,3,5,7-9H2,1-2H3
InChIKeyZALCPJLUOMXEDO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.08
Rot. Bonds4

About 1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 156651528) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID156651528
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCCc1ccnc(N2CCC(CNC)C2)n1
InChIInChI=1S/C12H20N4/c1-3-11-4-6-14-12(15-11)16-7-5-10(9-16)8-13-2/h4,6,10,13H,3,5,7-9H2,1-2H3
InChIKeyZALCPJLUOMXEDO-UHFFFAOYSA-N
XLogP1.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542226
N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 62958741
N-methyl-1-[1-(4-methylpyrimidin-2-yl)azetidin-3-yl]methanamine
CID 130921522
2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552490
1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116648585
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
1-[1-(5-bromo-4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 106998129
1-[1-(5-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116976804
[1-(4-chloropyrimidin-2-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 87372576
1-(4-propylpyrimidin-2-yl)piperidin-4-amine
CID 117224317

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine (CID 156651528) is 1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine is CCc1ccnc(N2CCC(CNC)C2)n1.
What is the InChIKey of 1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is ZALCPJLUOMXEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-11-4-6-14-12(15-11)16-7-5-10(9-16)8-13-2/h4,6,10,13H,3,5,7-9H2,1-2H3.
What are the key properties of 1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 156651528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).