N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine

C18H25N5 — CID 110116781

IUPACN,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
SMILESCc1cccc(N2CCCC2c2nc(C)ncc2CN(C)C)n1
InChIInChI=1S/C18H25N5/c1-13-7-5-9-17(20-13)23-10-6-8-16(23)18-15(12-22(3)4)11-19-14(2)21-18/h5,7,9,11,16H,6,8,10,12H2,1-4H3
InChIKeyKXFWXCQHAAHIIC-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.89
Rot. Bonds4

About N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine

N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine (PubChem CID 110116781) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
PubChem CID110116781
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
SMILESCc1cccc(N2CCCC2c2nc(C)ncc2CN(C)C)n1
InChIInChI=1S/C18H25N5/c1-13-7-5-9-17(20-13)23-10-6-8-16(23)18-15(12-22(3)4)11-19-14(2)21-18/h5,7,9,11,16H,6,8,10,12H2,1-4H3
InChIKeyKXFWXCQHAAHIIC-UHFFFAOYSA-N
XLogP2.89
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124957607
2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 110116753
1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 124958910
1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 110116819
1-[4-[1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 110116785
N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 124969108
[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110116761
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 125014018
N,N-dimethyl-1-[2-methyl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 110116763
1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110116795
N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide
CID 124956996
N-[2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 110116801

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine (CID 110116781) is N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine is Cc1cccc(N2CCCC2c2nc(C)ncc2CN(C)C)n1.
What is the InChIKey of N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine?
The InChIKey is KXFWXCQHAAHIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-13-7-5-9-17(20-13)23-10-6-8-16(23)18-15(12-22(3)4)11-19-14(2)21-18/h5,7,9,11,16H,6,8,10,12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine?
N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine has a molecular weight of 311.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 110116781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).