4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine

C11H13N3 — CID 11644053

IUPAC4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESC=C(c1ncnc2[nH]ccc12)C(C)C
InChIInChI=1S/C11H13N3/c1-7(2)8(3)10-9-4-5-12-11(9)14-6-13-10/h4-7H,3H2,1-2H3,(H,12,13,14)
InChIKeyCKIFLZBNHIELTM-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.63
Rot. Bonds2

About 4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 11644053) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID11644053
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESC=C(c1ncnc2[nH]ccc12)C(C)C
InChIInChI=1S/C11H13N3/c1-7(2)8(3)10-9-4-5-12-11(9)14-6-13-10/h4-7H,3H2,1-2H3,(H,12,13,14)
InChIKeyCKIFLZBNHIELTM-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 143330703
4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 145324859
N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166244264
(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 122050876
4-propan-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 123796055
(2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol
CID 175668026
(2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol
CID 175667925
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
2-chloroethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
CID 67204102
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 77134589
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736352
7H-pyrrolo[2,3-d]pyrimidine-4-thiolate
CID 59609036

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 11644053) is 4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine is C=C(c1ncnc2[nH]ccc12)C(C)C.
What is the InChIKey of 4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is CKIFLZBNHIELTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7(2)8(3)10-9-4-5-12-11(9)14-6-13-10/h4-7H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 187.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 11644053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).