2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine

C10H16ClN3O — CID 62480987

IUPAC2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine
SMILESCOCCCCNc1cc(C)nc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-8-7-9(14-10(11)13-8)12-5-3-4-6-15-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyZDJDOMKJYHCWCR-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.28
Rot. Bonds6

About 2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine

2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine (PubChem CID 62480987) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine
PubChem CID62480987
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine
SMILESCOCCCCNc1cc(C)nc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-8-7-9(14-10(11)13-8)12-5-3-4-6-15-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyZDJDOMKJYHCWCR-UHFFFAOYSA-N
XLogP2.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842931
2-chloro-N-(4-methoxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562485
2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114131009
6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine
CID 104923902
4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide
CID 62482794
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911795
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62476087
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911945
2-N-(2,5-dichlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911858
2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653
3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine
CID 114999418
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane
CID 142930051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine (CID 62480987) is 2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine is COCCCCNc1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine?
The InChIKey is ZDJDOMKJYHCWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-8-7-9(14-10(11)13-8)12-5-3-4-6-15-2/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine?
2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine has a molecular weight of 229.71 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62480987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).