2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane

C12H20N4O — CID 166552112

IUPAC2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
SMILESCC.CC(C)c1cn(C)c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C10H14N4O.C2H6/c1-5(2)6-4-14(3)8-7(6)9(15)13-10(11)12-8;1-2/h4-5H,1-3H3,(H3,11,12,13,15);1-2H3
InChIKeyYNYRYUMQWYTWDX-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.99
Rot. Bonds1

About 2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane

2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane (PubChem CID 166552112) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
PubChem CID166552112
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
SMILESCC.CC(C)c1cn(C)c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C10H14N4O.C2H6/c1-5(2)6-4-14(3)8-7(6)9(15)13-10(11)12-8;1-2/h4-5H,1-3H3,(H3,11,12,13,15);1-2H3
InChIKeyYNYRYUMQWYTWDX-UHFFFAOYSA-N
XLogP1.99
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane with MolForge

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Launch Full Analysis

Related Compounds

2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 178059608
2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 142932958
2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 163830235
6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one
CID 177147400
2-amino-5-[2-(7,9-diazoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl)ethynyl]-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 159304661
2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane
CID 142113883
2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one
CID 164975372
2-amino-9-(1-methoxyethyl)-1H-purin-6-one
CID 135996340
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
2-amino-9-ethyl-7-methyl-1H-purin-9-ium-6-one
CID 136602707
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
2-amino-9-propan-2-yl-7-prop-2-enyl-1H-purine-6,8-dione
CID 153411211

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane?
The IUPAC name of 2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane (CID 166552112) is 2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane.
What is the SMILES notation for 2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane?
The canonical SMILES for 2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane is CC.CC(C)c1cn(C)c2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane?
The InChIKey is YNYRYUMQWYTWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O.C2H6/c1-5(2)6-4-14(3)8-7(6)9(15)13-10(11)12-8;1-2/h4-5H,1-3H3,(H3,11,12,13,15);1-2H3.
What are the key properties of 2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane?
2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane has a molecular weight of 236.32 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane is sourced from PubChem (CID 166552112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).