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

C9H14N2 — CID 126757075

IUPAC1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
SMILESCC1=NCC(C)=C2CCCN12
InChIInChI=1S/C9H14N2/c1-7-6-10-8(2)11-5-3-4-9(7)11/h3-6H2,1-2H3
InChIKeyNDNKTWPZHMCZNO-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.79
Rot. Bonds

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

1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine (PubChem CID 126757075) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine.

Molecular Properties

Compound Name1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
PubChem CID126757075
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
SMILESCC1=NCC(C)=C2CCCN12
InChIInChI=1S/C9H14N2/c1-7-6-10-8(2)11-5-3-4-9(7)11/h3-6H2,1-2H3
InChIKeyNDNKTWPZHMCZNO-UHFFFAOYSA-N
XLogP1.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The IUPAC name of 1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine (CID 126757075) is 1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine.
What is the SMILES notation for 1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The canonical SMILES for 1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine is CC1=NCC(C)=C2CCCN12.
What is the InChIKey of 1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The InChIKey is NDNKTWPZHMCZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-6-10-8(2)11-5-3-4-9(7)11/h3-6H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine has a molecular weight of 150.22 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine is sourced from PubChem (CID 126757075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).