5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine

C16H25N5 — CID 59140959

IUPAC5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
SMILES[C-]#[N+]c1cnc(N(C)CCCC2CCN(C)CC2)nc1C
InChIInChI=1S/C16H25N5/c1-13-15(17-2)12-18-16(19-13)21(4)9-5-6-14-7-10-20(3)11-8-14/h12,14H,5-11H2,1,3-4H3
InChIKeyIEVWEUPWYVSLHN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.89
Rot. Bonds5

About 5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine

5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine (PubChem CID 59140959) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
PubChem CID59140959
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
SMILES[C-]#[N+]c1cnc(N(C)CCCC2CCN(C)CC2)nc1C
InChIInChI=1S/C16H25N5/c1-13-15(17-2)12-18-16(19-13)21(4)9-5-6-14-7-10-20(3)11-8-14/h12,14H,5-11H2,1,3-4H3
InChIKeyIEVWEUPWYVSLHN-UHFFFAOYSA-N
XLogP2.89
TPSA36.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-methylpyrimidine
CID 72868863
N-{[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl}-4-methylpyrimidin-2-amine
CID 72912703
N,N,4-Trimethylpyrimidin-5-amine
CID 21600214
2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 133907881
1-Methyl-4-(4-methylpyrimidin-2-yl)-1,4-diazaspiro[5.5]undecane
CID 122154032
1-[(2-Ethylpyrimidin-4-YL)methyl]-4-methylpiperidine-4-carbonitrile
CID 129621088
2-[4-(3-Methylbutyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 59586032
2-(4-Ethylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 71046231
2-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 89546515
4-[(4-Fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine
CID 163258284
4-[(3-Fluoro-3-propan-2-ylpiperidin-1-yl)methyl]-2-methoxypyrimidine
CID 163258395
4-N-[4-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]cyclohexane-1,4-diamine
CID 169638645

Frequently Asked Questions

What is the IUPAC name of 5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine (CID 59140959) is 5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine is [C-]#[N+]c1cnc(N(C)CCCC2CCN(C)CC2)nc1C.
What is the InChIKey of 5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine?
The InChIKey is IEVWEUPWYVSLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-13-15(17-2)12-18-16(19-13)21(4)9-5-6-14-7-10-20(3)11-8-14/h12,14H,5-11H2,1,3-4H3.
What are the key properties of 5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine?
5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 59140959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).