N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine

C16H20N4 — CID 116899139

IUPACN-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine
SMILESCNC1CCC(c2nccc(-c3cccnc3)n2)CC1
InChIInChI=1S/C16H20N4/c1-17-14-6-4-12(5-7-14)16-19-10-8-15(20-16)13-3-2-9-18-11-13/h2-3,8-12,14,17H,4-7H2,1H3
InChIKeyZVLRMOPVHKNABF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.78
Rot. Bonds3

About N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine

N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine (PubChem CID 116899139) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine
PubChem CID116899139
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine
SMILESCNC1CCC(c2nccc(-c3cccnc3)n2)CC1
InChIInChI=1S/C16H20N4/c1-17-14-6-4-12(5-7-14)16-19-10-8-15(20-16)13-3-2-9-18-11-13/h2-3,8-12,14,17H,4-7H2,1H3
InChIKeyZVLRMOPVHKNABF-UHFFFAOYSA-N
XLogP2.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide
CID 138056951
4-(4-tert-butylpyrimidin-2-yl)-N-methylcyclohexan-1-amine
CID 116899132
4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine
CID 112554804
3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide
CID 56884150
2,6-dipyridin-3-ylpyridine
CID 13349632
(3aR,7aR)-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7212190
6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
CID 56891500
2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
(5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 171359459
(1S,6R)-9-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 133138519
N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 114245322
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 97434392

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine (CID 116899139) is N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine is CNC1CCC(c2nccc(-c3cccnc3)n2)CC1.
What is the InChIKey of N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine?
The InChIKey is ZVLRMOPVHKNABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-17-14-6-4-12(5-7-14)16-19-10-8-15(20-16)13-3-2-9-18-11-13/h2-3,8-12,14,17H,4-7H2,1H3.
What are the key properties of N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine?
N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine has a molecular weight of 268.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 116899139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).