N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine

C18H24N4 — CID 11695061

IUPACN,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
SMILESCc1ncc(-c2ccc(CN3CCC(N(C)C)C3)cc2)cn1
InChIInChI=1S/C18H24N4/c1-14-19-10-17(11-20-14)16-6-4-15(5-7-16)12-22-9-8-18(13-22)21(2)3/h4-7,10-11,18H,8-9,12-13H2,1-3H3
InChIKeyILTOPIFQKQHZJF-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.59
Rot. Bonds4

About N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine

N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 11695061) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID11695061
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
SMILESCc1ncc(-c2ccc(CN3CCC(N(C)C)C3)cc2)cn1
InChIInChI=1S/C18H24N4/c1-14-19-10-17(11-20-14)16-6-4-15(5-7-16)12-22-9-8-18(13-22)21(2)3/h4-7,10-11,18H,8-9,12-13H2,1-3H3
InChIKeyILTOPIFQKQHZJF-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3,5-difluoro-4-(2-methylpyrimidin-5-yl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 11674361
2-amino-5-[4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 146427026
(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11631823
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260
2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide
CID 126675699
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
N,N-dimethyl-1-[[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]methyl]pyrrolidin-3-amine
CID 68790367
N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11696722
1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63532635
N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
CID 58590945
4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70755812
N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11545551

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine (CID 11695061) is N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine is Cc1ncc(-c2ccc(CN3CCC(N(C)C)C3)cc2)cn1.
What is the InChIKey of N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is ILTOPIFQKQHZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-19-10-17(11-20-14)16-6-4-15(5-7-16)12-22-9-8-18(13-22)21(2)3/h4-7,10-11,18H,8-9,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 296.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 11695061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).