1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile

C11H15N3 — CID 130218065

IUPAC1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile
SMILESCC1=NC(C)C(C)=C2CC(C#N)CN12
InChIInChI=1S/C11H15N3/c1-7-8(2)13-9(3)14-6-10(5-12)4-11(7)14/h8,10H,4,6H2,1-3H3
InChIKeyKQKKGKITVKBOLZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.93
Rot. Bonds

About 1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile

1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile (PubChem CID 130218065) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile
PubChem CID130218065
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile
SMILESCC1=NC(C)C(C)=C2CC(C#N)CN12
InChIInChI=1S/C11H15N3/c1-7-8(2)13-9(3)14-6-10(5-12)4-11(7)14/h8,10H,4,6H2,1-3H3
InChIKeyKQKKGKITVKBOLZ-UHFFFAOYSA-N
XLogP1.93
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile
CID 130218698
(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol
CID 130219048
[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol
CID 130218583
(3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
CID 126756997
(3R,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile
CID 130208855
(3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
CID 130218741
(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide
CID 130219193
2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol
CID 126757009
N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide
CID 130218348
N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide
CID 130218367
N-methyl-N-[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide
CID 126756564
2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid
CID 130218244

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile?
The IUPAC name of 1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile (CID 130218065) is 1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile.
What is the SMILES notation for 1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile?
The canonical SMILES for 1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile is CC1=NC(C)C(C)=C2CC(C#N)CN12.
What is the InChIKey of 1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile?
The InChIKey is KQKKGKITVKBOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-7-8(2)13-9(3)14-6-10(5-12)4-11(7)14/h8,10H,4,6H2,1-3H3.
What are the key properties of 1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile?
1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile is sourced from PubChem (CID 130218065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).