2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline

C17H22N4 — CID 62748402

IUPAC2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline
SMILESCc1nccc(CNc2ccc(N3CCCC3)cc2C)n1
InChIInChI=1S/C17H22N4/c1-13-11-16(21-9-3-4-10-21)5-6-17(13)19-12-15-7-8-18-14(2)20-15/h5-8,11,19H,3-4,9-10,12H2,1-2H3
InChIKeyUFBFCRDEBVPRCM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.31
Rot. Bonds4

About 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline

2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline (PubChem CID 62748402) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline
PubChem CID62748402
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline
SMILESCc1nccc(CNc2ccc(N3CCCC3)cc2C)n1
InChIInChI=1S/C17H22N4/c1-13-11-16(21-9-3-4-10-21)5-6-17(13)19-12-15-7-8-18-14(2)20-15/h5-8,11,19H,3-4,9-10,12H2,1-2H3
InChIKeyUFBFCRDEBVPRCM-UHFFFAOYSA-N
XLogP3.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696611
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 115688003
N-[(2-methylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 62748048
methyl 3-methyl-4-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62748228
N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 62071393
2-methyl-N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43682373
N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79507389
5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747144
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline
CID 168579906
5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile
CID 107927329
N-[(2-methylpyrimidin-4-yl)methyl]-2,4-di(propan-2-yl)aniline
CID 62749292
6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine
CID 61224152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline?
The IUPAC name of 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline (CID 62748402) is 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline?
The canonical SMILES for 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline is Cc1nccc(CNc2ccc(N3CCCC3)cc2C)n1.
What is the InChIKey of 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline?
The InChIKey is UFBFCRDEBVPRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-11-16(21-9-3-4-10-21)5-6-17(13)19-12-15-7-8-18-14(2)20-15/h5-8,11,19H,3-4,9-10,12H2,1-2H3.
What are the key properties of 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline?
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline has a molecular weight of 282.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 62748402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).