N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine

C11H18ClN3 — CID 106286880

IUPACN-(2-chloro-3-ethylpentyl)pyrimidin-4-amine
SMILESCCC(CC)C(Cl)CNc1ccncn1
InChIInChI=1S/C11H18ClN3/c1-3-9(4-2)10(12)7-14-11-5-6-13-8-15-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,13,14,15)
InChIKeyYKBNYWOHZNKAKG-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.93
Rot. Bonds6

About N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine

N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine (PubChem CID 106286880) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)pyrimidin-4-amine
PubChem CID106286880
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-(2-chloro-3-ethylpentyl)pyrimidin-4-amine
SMILESCCC(CC)C(Cl)CNc1ccncn1
InChIInChI=1S/C11H18ClN3/c1-3-9(4-2)10(12)7-14-11-5-6-13-8-15-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,13,14,15)
InChIKeyYKBNYWOHZNKAKG-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
CID 106287831
N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102914055
2-[(pyrimidin-4-ylamino)methyl]butanoic acid
CID 65226291
ethane;N-ethylpyrimidin-4-amine
CID 167491074
N-(2-chloropentan-3-yl)pyrimidin-4-amine
CID 131162695
N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine
CID 90736918
2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine
CID 66107458
N-(4-chloropentyl)pyrimidin-4-amine
CID 106124684
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 62994036
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
CID 61253596
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
1-(cyclohexylamino)-2-(pyrimidin-4-ylamino)ethanol
CID 69126945

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine?
The IUPAC name of N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine (CID 106286880) is N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine is CCC(CC)C(Cl)CNc1ccncn1.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine?
The InChIKey is YKBNYWOHZNKAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-3-9(4-2)10(12)7-14-11-5-6-13-8-15-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine?
N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine has a molecular weight of 227.74 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine is sourced from PubChem (CID 106286880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).