N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine

C7H10N4 — CID 137021593

IUPACN-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine
SMILESC/N=C1\NCNc2[nH]ccc21
InChIInChI=1S/C7H10N4/c1-8-6-5-2-3-9-7(5)11-4-10-6/h2-3,9,11H,4H2,1H3,(H,8,10)
InChIKeyPGGPXQLKERCAIA-UHFFFAOYSA-N
MW150.19 g/mol
LogP0.36
Rot. Bonds

About N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine

N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine (PubChem CID 137021593) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine.

Molecular Properties

Compound NameN-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine
PubChem CID137021593
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC NameN-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine
SMILESC/N=C1\NCNc2[nH]ccc21
InChIInChI=1S/C7H10N4/c1-8-6-5-2-3-9-7(5)11-4-10-6/h2-3,9,11H,4H2,1H3,(H,8,10)
InChIKeyPGGPXQLKERCAIA-UHFFFAOYSA-N
XLogP0.36
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine
CID 146822763
2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine
CID 158570723
4-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ol
CID 86340592
4-N-ethenyl-6-methylimino-2,3-dihydro-1H-pyrimidine-4,5-diamine
CID 137245181
7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione
CID 67943123
7-methylidene-3-azabicyclo[4.2.0]octa-1(6),4-dien-2-one
CID 13405592
1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 91995475
N-imino-4,7-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 154303266
2-quinoxalin-6-yl-4-(2,2,2-trifluoroethylimino)-3,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 151305414
7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 123436322
ethane;N,5,5-trimethyl-6H-pyrrolo[3,4-b]pyridin-7-imine
CID 136624467
3-azatricyclo[5.4.0.02,6]undeca-1(11),2(6),4,7,9-pentaene
CID 67825781

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine?
The IUPAC name of N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine (CID 137021593) is N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine.
What is the SMILES notation for N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine?
The canonical SMILES for N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine is C/N=C1\NCNc2[nH]ccc21.
What is the InChIKey of N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine?
The InChIKey is PGGPXQLKERCAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-8-6-5-2-3-9-7(5)11-4-10-6/h2-3,9,11H,4H2,1H3,(H,8,10).
What are the key properties of N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine?
N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine has a molecular weight of 150.19 g/mol, XLogP of 0.36, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine is sourced from PubChem (CID 137021593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).