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

C10H16N2 — CID 126756939

IUPAC(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
SMILESCC1=N[C@@H](C)C(C)=C2CCCN12
InChIInChI=1S/C10H16N2/c1-7-8(2)11-9(3)12-6-4-5-10(7)12/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyGGOYIPLXGZOTMB-QMMMGPOBSA-N
MW164.25 g/mol
LogP2.18
Rot. Bonds

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

(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine (PubChem CID 126756939) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine.

Molecular Properties

Compound Name(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
PubChem CID126756939
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
SMILESCC1=N[C@@H](C)C(C)=C2CCCN12
InChIInChI=1S/C10H16N2/c1-7-8(2)11-9(3)12-6-4-5-10(7)12/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyGGOYIPLXGZOTMB-QMMMGPOBSA-N
XLogP2.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The IUPAC name of (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine (CID 126756939) is (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine.
What is the SMILES notation for (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The canonical SMILES for (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine is CC1=N[C@@H](C)C(C)=C2CCCN12.
What is the InChIKey of (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The InChIKey is GGOYIPLXGZOTMB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2/c1-7-8(2)11-9(3)12-6-4-5-10(7)12/h8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine is sourced from PubChem (CID 126756939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).