N-ethyl-4-methyl-N-pentylpyrimidin-2-amine

C12H21N3 — CID 165400286

IUPACN-ethyl-4-methyl-N-pentylpyrimidin-2-amine
SMILESCCCCCN(CC)c1nccc(C)n1
InChIInChI=1S/C12H21N3/c1-4-6-7-10-15(5-2)12-13-9-8-11(3)14-12/h8-9H,4-7,10H2,1-3H3
InChIKeyJTVYMMGMRXRYOO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.80
Rot. Bonds6

About N-ethyl-4-methyl-N-pentylpyrimidin-2-amine

N-ethyl-4-methyl-N-pentylpyrimidin-2-amine (PubChem CID 165400286) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-pentylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-pentylpyrimidin-2-amine
PubChem CID165400286
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-ethyl-4-methyl-N-pentylpyrimidin-2-amine
SMILESCCCCCN(CC)c1nccc(C)n1
InChIInChI=1S/C12H21N3/c1-4-6-7-10-15(5-2)12-13-9-8-11(3)14-12/h8-9H,4-7,10H2,1-3H3
InChIKeyJTVYMMGMRXRYOO-UHFFFAOYSA-N
XLogP2.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine
CID 165400285
N-butyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 78818754
1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
CID 78995484
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348
N,N-dibenzyl-4-methylpyrimidin-2-amine
CID 66545602
3-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropanimidamide
CID 62959803
4-methyl-N,N-bis(sulfanyl)pyrimidin-2-amine
CID 89307492
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
N,N-dihexyl-3,6-dimethylpyrazin-2-amine
CID 518224
5-bromo-N-butyl-N-ethylpyrimidin-2-amine
CID 63874564
4-[[methyl(pentyl)amino]diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 23276786
N-butyl-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80918365

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-pentylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-N-pentylpyrimidin-2-amine (CID 165400286) is N-ethyl-4-methyl-N-pentylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-N-pentylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-N-pentylpyrimidin-2-amine is CCCCCN(CC)c1nccc(C)n1.
What is the InChIKey of N-ethyl-4-methyl-N-pentylpyrimidin-2-amine?
The InChIKey is JTVYMMGMRXRYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-6-7-10-15(5-2)12-13-9-8-11(3)14-12/h8-9H,4-7,10H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-N-pentylpyrimidin-2-amine?
N-ethyl-4-methyl-N-pentylpyrimidin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-pentylpyrimidin-2-amine is sourced from PubChem (CID 165400286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).