4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine

C8H10FN3 — CID 143015264

IUPAC4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(F)c2c(n1)C(C)CN2
InChIInChI=1S/C8H10FN3/c1-4-3-10-7-6(4)11-5(2)12-8(7)9/h4,10H,3H2,1-2H3
InChIKeyDSGJDZNHLNKTDH-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.45
Rot. Bonds

About 4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine

4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 143015264) has the molecular formula C8H10FN3 and a molecular weight of 167.19 g/mol. Its IUPAC name is 4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID143015264
Molecular FormulaC8H10FN3
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC Name4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(F)c2c(n1)C(C)CN2
InChIInChI=1S/C8H10FN3/c1-4-3-10-7-6(4)11-5(2)12-8(7)9/h4,10H,3H2,1-2H3
InChIKeyDSGJDZNHLNKTDH-UHFFFAOYSA-N
XLogP1.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethyl-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-2-fluoroethanamine
CID 89938635
4-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
CID 123916444
7-Fluoro-4,7-dimethyl-5,6-dihydropyrrolo[3,2-d]pyrimidine
CID 143833654
2-fluoro-N-[[4-methyl-5,6-di(propan-2-yl)pyrimidin-2-yl]methyl]ethanamine
CID 144389801
7-Methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4-diamine
CID 267676
1-(4-Methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858339
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83848132
N'-(6-ethyl-5-fluoro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 84039946
N'-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 84039947
4-N-(2-aminoethyl)-6-ethyl-5-fluoropyrimidine-2,4-diamine
CID 84040024
N'-(6-cyclopropyl-5-fluoro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 84041017
4-N-(2-aminoethyl)-6-cyclopropyl-5-fluoropyrimidine-2,4-diamine
CID 84041104

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine (CID 143015264) is 4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(F)c2c(n1)C(C)CN2.
What is the InChIKey of 4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is DSGJDZNHLNKTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3/c1-4-3-10-7-6(4)11-5(2)12-8(7)9/h4,10H,3H2,1-2H3.
What are the key properties of 4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine?
4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 167.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 143015264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).