N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine

C13H21N3O — CID 112637391

IUPACN-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC2CC2(C)C)n1
InChIInChI=1S/C13H21N3O/c1-5-6-17-11-7-9(2)14-12(16-11)15-10-8-13(10,3)4/h7,10H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyRUSZLPPHYZOLKM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.78
Rot. Bonds5

About N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine

N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 112637391) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID112637391
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC2CC2(C)C)n1
InChIInChI=1S/C13H21N3O/c1-5-6-17-11-7-9(2)14-12(16-11)15-10-8-13(10,3)4/h7,10H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyRUSZLPPHYZOLKM-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 114632140
4-methyl-N-(2-methylcyclopropyl)-6-propoxypyrimidin-2-amine
CID 112637482
3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid
CID 115973140
N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 115975126
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
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 115973093
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 115973155
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine (CID 112637391) is N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NC2CC2(C)C)n1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is RUSZLPPHYZOLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-6-17-11-7-9(2)14-12(16-11)15-10-8-13(10,3)4/h7,10H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine?
N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 112637391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).