N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine

C14H22ClN3O — CID 114632140

IUPACN-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC2CC(Cl)C2(C)C)n1
InChIInChI=1S/C14H22ClN3O/c1-5-6-19-12-7-9(2)16-13(18-12)17-11-8-10(15)14(11,3)4/h7,10-11H,5-6,8H2,1-4H3,(H,16,17,18)
InChIKeyLTEVMXHLVCNHAE-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.39
Rot. Bonds5

About N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine

N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 114632140) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID114632140
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC2CC(Cl)C2(C)C)n1
InChIInChI=1S/C14H22ClN3O/c1-5-6-19-12-7-9(2)16-13(18-12)17-11-8-10(15)14(11,3)4/h7,10-11H,5-6,8H2,1-4H3,(H,16,17,18)
InChIKeyLTEVMXHLVCNHAE-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112637391
N-(3-chloro-2,2-dimethylcyclobutyl)-4,6-dimethylpyrimidin-2-amine
CID 114632026
4-methyl-N-(2-methylcyclopropyl)-6-propoxypyrimidin-2-amine
CID 112637482
N-(3-chloro-2,2-dimethylcyclobutyl)-6-propoxypyrimidin-4-amine
CID 114632018
N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 115975126
3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid
CID 115973140
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 115973155
N-[2-(aminomethyl)cyclohexyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973485
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine (CID 114632140) is N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NC2CC(Cl)C2(C)C)n1.
What is the InChIKey of N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is LTEVMXHLVCNHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-5-6-19-12-7-9(2)16-13(18-12)17-11-8-10(15)14(11,3)4/h7,10-11H,5-6,8H2,1-4H3,(H,16,17,18).
What are the key properties of N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine?
N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 114632140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).