6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine

C11H18ClN3 — CID 63730254

IUPAC6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1nc(C)nc(Cl)c1C
InChIInChI=1S/C11H18ClN3/c1-4-5-6-7-13-11-8(2)10(12)14-9(3)15-11/h4-7H2,1-3H3,(H,13,14,15)
InChIKeySNTXMYVMMRIZJG-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.35
Rot. Bonds5

About 6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine

6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine (PubChem CID 63730254) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
PubChem CID63730254
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1nc(C)nc(Cl)c1C
InChIInChI=1S/C11H18ClN3/c1-4-5-6-7-13-11-8(2)10(12)14-9(3)15-11/h4-7H2,1-3H3,(H,13,14,15)
InChIKeySNTXMYVMMRIZJG-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80836327
ethyl 4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butanoate
CID 64574900
6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63734406
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928
4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol
CID 64910682
tert-butyl N-[3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]propyl]carbamate
CID 114518265
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 55231599
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 114175880
6-chloro-2,5-dimethyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 63736491
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 63730182
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine (CID 63730254) is 6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine is CCCCCNc1nc(C)nc(Cl)c1C.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine?
The InChIKey is SNTXMYVMMRIZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-5-6-7-13-11-8(2)10(12)14-9(3)15-11/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine has a molecular weight of 227.74 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine is sourced from PubChem (CID 63730254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).