N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine

C16H20N4 — CID 136553102

IUPACN-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
SMILESCc1nccc(N2CCC(N(C)c3ccccc3)C2)n1
InChIInChI=1S/C16H20N4/c1-13-17-10-8-16(18-13)20-11-9-15(12-20)19(2)14-6-4-3-5-7-14/h3-8,10,15H,9,11-12H2,1-2H3
InChIKeyKWIXXMKKYOIMEA-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.50
Rot. Bonds3

About N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine

N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine (PubChem CID 136553102) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
PubChem CID136553102
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
SMILESCc1nccc(N2CCC(N(C)c3ccccc3)C2)n1
InChIInChI=1S/C16H20N4/c1-13-17-10-8-16(18-13)20-11-9-15(12-20)19(2)14-6-4-3-5-7-14/h3-8,10,15H,9,11-12H2,1-2H3
InChIKeyKWIXXMKKYOIMEA-UHFFFAOYSA-N
XLogP2.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 154582643
4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
CID 58359326
N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine
CID 86777943
2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
CID 136528453
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105
1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603310
1-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976873
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
5-(2-methylpyrimidin-4-yl)-2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 122141943
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 80827872
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine (CID 136553102) is N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine is Cc1nccc(N2CCC(N(C)c3ccccc3)C2)n1.
What is the InChIKey of N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine?
The InChIKey is KWIXXMKKYOIMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-17-10-8-16(18-13)20-11-9-15(12-20)19(2)14-6-4-3-5-7-14/h3-8,10,15H,9,11-12H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine?
N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine is sourced from PubChem (CID 136553102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).