N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine

C16H20N4 — CID 116976754

IUPACN-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCNC1CCN(c2ncc(-c3ccccc3C)cn2)C1
InChIInChI=1S/C16H20N4/c1-12-5-3-4-6-15(12)13-9-18-16(19-10-13)20-8-7-14(11-20)17-2/h3-6,9-10,14,17H,7-8,11H2,1-2H3
InChIKeyWKVVWWONRNSLIY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.25
Rot. Bonds3

About N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine

N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 116976754) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID116976754
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCNC1CCN(c2ncc(-c3ccccc3C)cn2)C1
InChIInChI=1S/C16H20N4/c1-12-5-3-4-6-15(12)13-9-18-16(19-10-13)20-8-7-14(11-20)17-2/h3-6,9-10,14,17H,7-8,11H2,1-2H3
InChIKeyWKVVWWONRNSLIY-UHFFFAOYSA-N
XLogP2.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 117224077
2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 175897249
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-(5-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 59535689
N-methyl-1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 166218883
2-methyl-5-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine
CID 145031960
1-(5-ethylpyrimidin-2-yl)-N-methylpiperidin-3-amine
CID 116976178
[1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
CID 116976620
N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine
CID 113282080
5-(2-methylphenyl)pyrimidin-2-amine
CID 11309934
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine (CID 116976754) is N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine is CNC1CCN(c2ncc(-c3ccccc3C)cn2)C1.
What is the InChIKey of N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is WKVVWWONRNSLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-5-3-4-6-15(12)13-9-18-16(19-10-13)20-8-7-14(11-20)17-2/h3-6,9-10,14,17H,7-8,11H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine?
N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 116976754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).