N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine

C17H20N6 — CID 74235815

IUPACN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCN(CCCc1nccn1C)c1nccc(-c2ccccn2)n1
InChIInChI=1S/C17H20N6/c1-22-13-11-19-16(22)7-5-12-23(2)17-20-10-8-15(21-17)14-6-3-4-9-18-14/h3-4,6,8-11,13H,5,7,12H2,1-2H3
InChIKeyPSHAXBLEWSVODG-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.34
Rot. Bonds6

About N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine

N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 74235815) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID74235815
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCN(CCCc1nccn1C)c1nccc(-c2ccccn2)n1
InChIInChI=1S/C17H20N6/c1-22-13-11-19-16(22)7-5-12-23(2)17-20-10-8-15(21-17)14-6-3-4-9-18-14/h3-4,6,8-11,13H,5,7,12H2,1-2H3
InChIKeyPSHAXBLEWSVODG-UHFFFAOYSA-N
XLogP2.34
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70736552
2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 46997101
5-ethyl-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-2-amine
CID 72851312
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine
CID 72881255
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine
CID 50950043
2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91789836
N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
CID 140833514
3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91778192
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444786
(3R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97143444
2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
CID 52662333

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine (CID 74235815) is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine is CN(CCCc1nccn1C)c1nccc(-c2ccccn2)n1.
What is the InChIKey of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is PSHAXBLEWSVODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-22-13-11-19-16(22)7-5-12-23(2)17-20-10-8-15(21-17)14-6-3-4-9-18-14/h3-4,6,8-11,13H,5,7,12H2,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine?
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 308.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 74235815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).