N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane

C11H19N3O — CID 163252601

IUPACN-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane
SMILESCC.COc1ncnc(NC2CC2)c1C
InChIInChI=1S/C9H13N3O.C2H6/c1-6-8(12-7-3-4-7)10-5-11-9(6)13-2;1-2/h5,7H,3-4H2,1-2H3,(H,10,11,12);1-2H3
InChIKeyCMHNHDHBTDXEMV-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.39
Rot. Bonds3

About N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane

N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane (PubChem CID 163252601) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane
PubChem CID163252601
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane
SMILESCC.COc1ncnc(NC2CC2)c1C
InChIInChI=1S/C9H13N3O.C2H6/c1-6-8(12-7-3-4-7)10-5-11-9(6)13-2;1-2/h5,7H,3-4H2,1-2H3,(H,10,11,12);1-2H3
InChIKeyCMHNHDHBTDXEMV-UHFFFAOYSA-N
XLogP2.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine
CID 75387565
1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine
CID 43552092
(2S)-2-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]propan-1-ol
CID 97817663
6-but-2-ynoxy-5-fluoro-N-pentan-3-ylpyrimidin-4-amine
CID 22599790
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 43552097
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63225939
6-methoxy-5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 66326426
6-methoxy-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 66326659
6-ethoxy-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 66326660
6-methoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 66326871
6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 66326872
6-methoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66327859

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane?
The IUPAC name of N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane (CID 163252601) is N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane.
What is the SMILES notation for N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane?
The canonical SMILES for N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane is CC.COc1ncnc(NC2CC2)c1C.
What is the InChIKey of N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane?
The InChIKey is CMHNHDHBTDXEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.C2H6/c1-6-8(12-7-3-4-7)10-5-11-9(6)13-2;1-2/h5,7H,3-4H2,1-2H3,(H,10,11,12);1-2H3.
What are the key properties of N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane?
N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane has a molecular weight of 209.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-5-methylpyrimidin-4-amine;ethane is sourced from PubChem (CID 163252601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).