ethane;6-methoxypyrimidin-4-amine;molecular hydrogen

C7H15N3O — CID 164548833

IUPACethane;6-methoxypyrimidin-4-amine;molecular hydrogen
SMILESCC.COc1cc(N)ncn1.[H][H]
InChIInChI=1S/C5H7N3O.C2H6.H2/c1-9-5-2-4(6)7-3-8-5;1-2;/h2-3H,1H3,(H2,6,7,8);1-2H3;1H
InChIKeyWVNHLGJNHVVTNO-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.34
Rot. Bonds1

About ethane;6-methoxypyrimidin-4-amine;molecular hydrogen

ethane;6-methoxypyrimidin-4-amine;molecular hydrogen (PubChem CID 164548833) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is ethane;6-methoxypyrimidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;6-methoxypyrimidin-4-amine;molecular hydrogen
PubChem CID164548833
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Nameethane;6-methoxypyrimidin-4-amine;molecular hydrogen
SMILESCC.COc1cc(N)ncn1.[H][H]
InChIInChI=1S/C5H7N3O.C2H6.H2/c1-9-5-2-4(6)7-3-8-5;1-2;/h2-3H,1H3,(H2,6,7,8);1-2H3;1H
InChIKeyWVNHLGJNHVVTNO-UHFFFAOYSA-N
XLogP1.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-(6-methoxypyrimidin-4-yl)hydroxylamine
CID 79421362
6-ethoxypyrimidin-4-amine;hydrochloride
CID 169439907
6-[(E)-but-2-enoxy]pyrimidin-4-amine
CID 80872499
6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 80868695
6-methoxypyrimidine-4-sulfonamide
CID 45080602
butane;ethane;4-methoxy-6-methylpyrimidine
CID 143694997
6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877295
2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950454
3-(6-methoxypyrimidin-4-yl)oxyaniline
CID 66319653
1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine
CID 66320104
6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80871254
6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80880691

Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxypyrimidin-4-amine;molecular hydrogen?
The IUPAC name of ethane;6-methoxypyrimidin-4-amine;molecular hydrogen (CID 164548833) is ethane;6-methoxypyrimidin-4-amine;molecular hydrogen.
What is the SMILES notation for ethane;6-methoxypyrimidin-4-amine;molecular hydrogen?
The canonical SMILES for ethane;6-methoxypyrimidin-4-amine;molecular hydrogen is CC.COc1cc(N)ncn1.[H][H].
What is the InChIKey of ethane;6-methoxypyrimidin-4-amine;molecular hydrogen?
The InChIKey is WVNHLGJNHVVTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C2H6.H2/c1-9-5-2-4(6)7-3-8-5;1-2;/h2-3H,1H3,(H2,6,7,8);1-2H3;1H.
What are the key properties of ethane;6-methoxypyrimidin-4-amine;molecular hydrogen?
ethane;6-methoxypyrimidin-4-amine;molecular hydrogen has a molecular weight of 157.22 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxypyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 164548833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).