N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

C15H22N4 — CID 114412620

IUPACN-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCC1=CCN(c2ncc(CNC3CC3)c(C)n2)CC1
InChIInChI=1S/C15H22N4/c1-11-5-7-19(8-6-11)15-17-10-13(12(2)18-15)9-16-14-3-4-14/h5,10,14,16H,3-4,6-9H2,1-2H3
InChIKeyKNKYBTVYOUQCAA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.19
Rot. Bonds4

About N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 114412620) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID114412620
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCC1=CCN(c2ncc(CNC3CC3)c(C)n2)CC1
InChIInChI=1S/C15H22N4/c1-11-5-7-19(8-6-11)15-17-10-13(12(2)18-15)9-16-14-3-4-14/h5,10,14,16H,3-4,6-9H2,1-2H3
InChIKeyKNKYBTVYOUQCAA-UHFFFAOYSA-N
XLogP2.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methyl-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 106316581
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 103502946
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83185436
N-[[4-methyl-2-(2-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83186348
N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186135
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83189314
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186302
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185097
N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83189031
N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185517
N-[[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185756
N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 114412620) is N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine is CC1=CCN(c2ncc(CNC3CC3)c(C)n2)CC1.
What is the InChIKey of N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is KNKYBTVYOUQCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-5-7-19(8-6-11)15-17-10-13(12(2)18-15)9-16-14-3-4-14/h5,10,14,16H,3-4,6-9H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 258.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114412620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).