2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

C11H15N3 — CID 76765527

IUPAC2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCC=Cc1nc(C)nc2c1CCN2C
InChIInChI=1S/C11H15N3/c1-4-5-10-9-6-7-14(3)11(9)13-8(2)12-10/h4-5H,6-7H2,1-3H3
InChIKeyLBHBZBONLOYCEM-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.81
Rot. Bonds1

About 2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 76765527) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID76765527
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCC=Cc1nc(C)nc2c1CCN2C
InChIInChI=1S/C11H15N3/c1-4-5-10-9-6-7-14(3)11(9)13-8(2)12-10/h4-5H,6-7H2,1-3H3
InChIKeyLBHBZBONLOYCEM-UHFFFAOYSA-N
XLogP1.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 149039299
2-butyl-7-[5-[(3R)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 160416360
(5S)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-4,5-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 163470030
2-(2,6-Dimethylpyrimidin-4-yl)isoindoline
CID 121020744
7-benzyl-4-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 10610087
2-Ethyl-4-methanidylcyclopenta[d]pyrimidine;yttrium
CID 57899347
N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine
CID 58222897
N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine
CID 58336190
N,N-dimethyl-2-[(E)-prop-1-enyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 58336200
2,7-dimethyl-4-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 58336295
2,4-ditert-butyl-5H-cyclopenta[d]pyrimidine
CID 58408005
4-(2-methyl-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 58507928

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 76765527) is 2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine is CC=Cc1nc(C)nc2c1CCN2C.
What is the InChIKey of 2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is LBHBZBONLOYCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-5-10-9-6-7-14(3)11(9)13-8(2)12-10/h4-5H,6-7H2,1-3H3.
What are the key properties of 2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 189.26 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-prop-1-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 76765527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).