4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine

C10H17N3O — CID 122516792

IUPAC4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1OCC(C)(C)C
InChIInChI=1S/C10H17N3O/c1-7-5-12-9(11)13-8(7)14-6-10(2,3)4/h5H,6H2,1-4H3,(H2,11,12,13)
InChIKeyRIIXFTDSRRAVDS-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.79
Rot. Bonds2

About 4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine

4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine (PubChem CID 122516792) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine
PubChem CID122516792
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1OCC(C)(C)C
InChIInChI=1S/C10H17N3O/c1-7-5-12-9(11)13-8(7)14-6-10(2,3)4/h5H,6H2,1-4H3,(H2,11,12,13)
InChIKeyRIIXFTDSRRAVDS-UHFFFAOYSA-N
XLogP1.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
3-((2-Amino-5-methylpyrimidin-4-yl)oxy)-2,2-dimethylpropan-1-ol
CID 122516793
5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine
CID 818851
2,4-Dimethoxy-5-methylpyrimidine
CID 579948
4-(2,2-Dimethylpropoxy)pyrimidin-2-amine
CID 122536474
Bis-Pro-5FU
CID 155118873
2,4-Diethoxypyrimidine
CID 224854
Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-
CID 3025152
Pyrimidine, 2-amino-4-(2-diisobutylaminoethoxy)-
CID 3025153
Pyrimidine, 2-amino-4-(2-dimethylaminoethoxy)-
CID 3025154
5-Ethynyl-2,4-dimethoxypyrimidine
CID 5273946
4-Ethoxypyrimidine
CID 12244941

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine (CID 122516792) is 4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1OCC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine?
The InChIKey is RIIXFTDSRRAVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-5-12-9(11)13-8(7)14-6-10(2,3)4/h5H,6H2,1-4H3,(H2,11,12,13).
What are the key properties of 4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine?
4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine has a molecular weight of 195.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 122516792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).