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

C7H10N4 — CID 142405736

IUPAC7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN1C=CC2C(N)=NC=NC21
InChIInChI=1S/C7H10N4/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-5,7H,1H3,(H2,8,9,10)
InChIKeyJQBJKSFDDGPWMX-UHFFFAOYSA-N
MW150.18 g/mol
LogP-0.21
Rot. Bonds

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

7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 142405736) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID142405736
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN1C=CC2C(N)=NC=NC21
InChIInChI=1S/C7H10N4/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-5,7H,1H3,(H2,8,9,10)
InChIKeyJQBJKSFDDGPWMX-UHFFFAOYSA-N
XLogP-0.21
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine (CID 142405736) is 7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine is CN1C=CC2C(N)=NC=NC21.
What is the InChIKey of 7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JQBJKSFDDGPWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-5,7H,1H3,(H2,8,9,10).
What are the key properties of 7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine?
7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 150.18 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 142405736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).