ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine

C9H16N4 — CID 142405735

IUPACethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC.CN1C=CC2C(N)=NC=NC21
InChIInChI=1S/C7H10N4.C2H6/c1-11-3-2-5-6(8)9-4-10-7(5)11;1-2/h2-5,7H,1H3,(H2,8,9,10);1-2H3
InChIKeyVCRJIROFSQZRJK-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.81
Rot. Bonds

About ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine

ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 142405735) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID142405735
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Nameethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC.CN1C=CC2C(N)=NC=NC21
InChIInChI=1S/C7H10N4.C2H6/c1-11-3-2-5-6(8)9-4-10-7(5)11;1-2/h2-5,7H,1H3,(H2,8,9,10);1-2H3
InChIKeyVCRJIROFSQZRJK-UHFFFAOYSA-N
XLogP0.81
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine (CID 142405735) is ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine is CC.CN1C=CC2C(N)=NC=NC21.
What is the InChIKey of ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VCRJIROFSQZRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4.C2H6/c1-11-3-2-5-6(8)9-4-10-7(5)11;1-2/h2-5,7H,1H3,(H2,8,9,10);1-2H3.
What are the key properties of ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 180.25 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 142405735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).