4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine

C9H9N3 — CID 73037755

IUPAC4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC=Cc1ncnc2[nH]ccc12
InChIInChI=1S/C9H9N3/c1-2-3-8-7-4-5-10-9(7)12-6-11-8/h2-6H,1H3,(H,10,11,12)
InChIKeyMHLCIMUUZBORMF-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.99
Rot. Bonds1

About 4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine

4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 73037755) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID73037755
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC=Cc1ncnc2[nH]ccc12
InChIInChI=1S/C9H9N3/c1-2-3-8-7-4-5-10-9(7)12-6-11-8/h2-6H,1H3,(H,10,11,12)
InChIKeyMHLCIMUUZBORMF-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 77134589
7H-pyrrolo[2,3-d]pyrimidine-4-thiolate
CID 59609036
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736352
4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 145324859
4-propan-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 123796055
4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 142574981
4-(chloromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 172694459
N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 76848839
ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 143330703
4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11644053
(2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol
CID 175668026

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine (CID 73037755) is 4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine is CC=Cc1ncnc2[nH]ccc12.
What is the InChIKey of 4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is MHLCIMUUZBORMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-3-8-7-4-5-10-9(7)12-6-11-8/h2-6H,1H3,(H,10,11,12).
What are the key properties of 4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine?
4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 159.19 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-enyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 73037755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).