(3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine

C11H16N6 — CID 130218741

IUPAC(3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
SMILESCC1=N[C@@H](C)C(C)=C2C[C@@H](c3nn[nH]n3)CN12
InChIInChI=1S/C11H16N6/c1-6-7(2)12-8(3)17-5-9(4-10(6)17)11-13-15-16-14-11/h7,9H,4-5H2,1-3H3,(H,13,14,15,16)/t7-,9+/m0/s1
InChIKeyPKDFBZRSAZUEOC-IONNQARKSA-N
MW232.29 g/mol
LogP1.08
Rot. Bonds1

About (3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine

(3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine (PubChem CID 130218741) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is (3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine.

Molecular Properties

Compound Name(3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
PubChem CID130218741
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name(3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
SMILESCC1=N[C@@H](C)C(C)=C2C[C@@H](c3nn[nH]n3)CN12
InChIInChI=1S/C11H16N6/c1-6-7(2)12-8(3)17-5-9(4-10(6)17)11-13-15-16-14-11/h7,9H,4-5H2,1-3H3,(H,13,14,15,16)/t7-,9+/m0/s1
InChIKeyPKDFBZRSAZUEOC-IONNQARKSA-N
XLogP1.08
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The IUPAC name of (3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine (CID 130218741) is (3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine.
What is the SMILES notation for (3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The canonical SMILES for (3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine is CC1=N[C@@H](C)C(C)=C2C[C@@H](c3nn[nH]n3)CN12.
What is the InChIKey of (3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The InChIKey is PKDFBZRSAZUEOC-IONNQARKSA-N. The full InChI is InChI=1S/C11H16N6/c1-6-7(2)12-8(3)17-5-9(4-10(6)17)11-13-15-16-14-11/h7,9H,4-5H2,1-3H3,(H,13,14,15,16)/t7-,9+/m0/s1.
What are the key properties of (3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
(3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine has a molecular weight of 232.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine is sourced from PubChem (CID 130218741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).