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

C11H18N4 — CID 130219193

IUPAC(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide
SMILES[H]/N=C(\N)C1CC2=C(C)[C@H](C)N=C(C)N2C1
InChIInChI=1S/C11H18N4/c1-6-7(2)14-8(3)15-5-9(11(12)13)4-10(6)15/h7,9H,4-5H2,1-3H3,(H3,12,13)/t7-,9?/m0/s1
InChIKeyHRULLXYLPYNOLF-JAVCKPHESA-N
MW206.29 g/mol
LogP1.34
Rot. Bonds1

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

(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide (PubChem CID 130219193) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide.

Molecular Properties

Compound Name(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide
PubChem CID130219193
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide
SMILES[H]/N=C(\N)C1CC2=C(C)[C@H](C)N=C(C)N2C1
InChIInChI=1S/C11H18N4/c1-6-7(2)14-8(3)15-5-9(11(12)13)4-10(6)15/h7,9H,4-5H2,1-3H3,(H3,12,13)/t7-,9?/m0/s1
InChIKeyHRULLXYLPYNOLF-JAVCKPHESA-N
XLogP1.34
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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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-6-carboximidamide?
The IUPAC name of (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide (CID 130219193) is (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide.
What is the SMILES notation for (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide?
The canonical SMILES for (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide is [H]/N=C(\N)C1CC2=C(C)[C@H](C)N=C(C)N2C1.
What is the InChIKey of (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide?
The InChIKey is HRULLXYLPYNOLF-JAVCKPHESA-N. The full InChI is InChI=1S/C11H18N4/c1-6-7(2)14-8(3)15-5-9(11(12)13)4-10(6)15/h7,9H,4-5H2,1-3H3,(H3,12,13)/t7-,9?/m0/s1.
What are the key properties of (3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide?
(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carboximidamide has a molecular weight of 206.29 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 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-6-carboximidamide is sourced from PubChem (CID 130219193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).