N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine

C7H10N4 — CID 137304712

IUPACN-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine
SMILESC/N=C1\NC=NC2NC=CC12
InChIInChI=1S/C7H10N4/c1-8-6-5-2-3-9-7(5)11-4-10-6/h2-5,7,9H,1H3,(H,8,10,11)
InChIKeyPQRGEWPPMLUQPO-UHFFFAOYSA-N
MW150.18 g/mol
LogP-0.29
Rot. Bonds

About N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine

N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine (PubChem CID 137304712) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine.

Molecular Properties

Compound NameN-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine
PubChem CID137304712
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC NameN-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine
SMILESC/N=C1\NC=NC2NC=CC12
InChIInChI=1S/C7H10N4/c1-8-6-5-2-3-9-7(5)11-4-10-6/h2-5,7,9H,1H3,(H,8,10,11)
InChIKeyPQRGEWPPMLUQPO-UHFFFAOYSA-N
XLogP-0.29
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine?
The IUPAC name of N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine (CID 137304712) is N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine.
What is the SMILES notation for N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine?
The canonical SMILES for N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine is C/N=C1\NC=NC2NC=CC12.
What is the InChIKey of N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine?
The InChIKey is PQRGEWPPMLUQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-8-6-5-2-3-9-7(5)11-4-10-6/h2-5,7,9H,1H3,(H,8,10,11).
What are the key properties of N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine?
N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine has a molecular weight of 150.18 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine is sourced from PubChem (CID 137304712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).