1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine

C21H26N4O — CID 124967170

IUPAC1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccnc([C@@H]2CCCN2CC2=Cc3ccccc3OC2)n1
InChIInChI=1S/C21H26N4O/c1-24(2)14-18-9-10-22-21(23-18)19-7-5-11-25(19)13-16-12-17-6-3-4-8-20(17)26-15-16/h3-4,6,8-10,12,19H,5,7,11,13-15H2,1-2H3/t19-/m0/s1
InChIKeyIQZHJYBWIHPNEV-IBGZPJMESA-N
MW350.47 g/mol
LogP3.15
Rot. Bonds5

About 1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine

1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 124967170) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
PubChem CID124967170
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccnc([C@@H]2CCCN2CC2=Cc3ccccc3OC2)n1
InChIInChI=1S/C21H26N4O/c1-24(2)14-18-9-10-22-21(23-18)19-7-5-11-25(19)13-16-12-17-6-3-4-8-20(17)26-15-16/h3-4,6,8-10,12,19H,5,7,11,13-15H2,1-2H3/t19-/m0/s1
InChIKeyIQZHJYBWIHPNEV-IBGZPJMESA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124945120
1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 110117128
1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 110117213
1-[2-[(2R)-1-cyclohexylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 124941723
[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 124979411
1-[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 124974232
N,N-dimethyl-1-[2-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117222
[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110117162
[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124998852
1-[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 125013326
1-(2H-chromen-3-ylmethyl)-4-pyrrolidin-1-ylazepane
CID 136519669
2H-benzotriazol-5-yl-[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110117207

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine (CID 124967170) is 1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine is CN(C)Cc1ccnc([C@@H]2CCCN2CC2=Cc3ccccc3OC2)n1.
What is the InChIKey of 1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is IQZHJYBWIHPNEV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4O/c1-24(2)14-18-9-10-22-21(23-18)19-7-5-11-25(19)13-16-12-17-6-3-4-8-20(17)26-15-16/h3-4,6,8-10,12,19H,5,7,11,13-15H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 350.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 124967170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).