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

C14H27N3 — CID 165400285

IUPACethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine
SMILESCC.CCCCCN(CC)c1nccc(C)n1
InChIInChI=1S/C12H21N3.C2H6/c1-4-6-7-10-15(5-2)12-13-9-8-11(3)14-12;1-2/h8-9H,4-7,10H2,1-3H3;1-2H3
InChIKeyHEAHCPPYWXWNJH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.83
Rot. Bonds6

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

ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine (PubChem CID 165400285) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine.

Molecular Properties

Compound Nameethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine
PubChem CID165400285
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Nameethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine
SMILESCC.CCCCCN(CC)c1nccc(C)n1
InChIInChI=1S/C12H21N3.C2H6/c1-4-6-7-10-15(5-2)12-13-9-8-11(3)14-12;1-2/h8-9H,4-7,10H2,1-3H3;1-2H3
InChIKeyHEAHCPPYWXWNJH-UHFFFAOYSA-N
XLogP3.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.83
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

N-ethyl-4-methyl-N-pentylpyrimidin-2-amine
CID 165400286
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
CID 159109236
CID 159109236
N,N-dibenzyl-4-methylpyrimidin-2-amine
CID 66545602
N-butyl-N-(2-chloroethyl)-4-ethoxypyrimidin-2-amine
CID 112639176
N-(2-bromoethyl)-N-butyl-4-propoxypyrimidin-2-amine
CID 112639369
N-(2-bromoethyl)-N-butyl-4-methoxypyrimidin-2-amine
CID 80668756
3-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropanimidamide
CID 62959803
N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639107
4-methyl-N,N-bis(sulfanyl)pyrimidin-2-amine
CID 89307492

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine?
The IUPAC name of ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine (CID 165400285) is ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine.
What is the SMILES notation for ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine?
The canonical SMILES for ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine is CC.CCCCCN(CC)c1nccc(C)n1.
What is the InChIKey of ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine?
The InChIKey is HEAHCPPYWXWNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3.C2H6/c1-4-6-7-10-15(5-2)12-13-9-8-11(3)14-12;1-2/h8-9H,4-7,10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine?
ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine is sourced from PubChem (CID 165400285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).