2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine

C9H18N2 — CID 139525401

IUPAC2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
SMILESCC1CN(C)CN2CCCC12
InChIInChI=1S/C9H18N2/c1-8-6-10(2)7-11-5-3-4-9(8)11/h8-9H,3-7H2,1-2H3
InChIKeyBDBVQSNFILWDKP-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.99
Rot. Bonds

About 2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine

2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine (PubChem CID 139525401) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
PubChem CID139525401
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
SMILESCC1CN(C)CN2CCCC12
InChIInChI=1S/C9H18N2/c1-8-6-10(2)7-11-5-3-4-9(8)11/h8-9H,3-7H2,1-2H3
InChIKeyBDBVQSNFILWDKP-UHFFFAOYSA-N
XLogP0.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine?
The IUPAC name of 2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine (CID 139525401) is 2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine?
The canonical SMILES for 2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine is CC1CN(C)CN2CCCC12.
What is the InChIKey of 2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine?
The InChIKey is BDBVQSNFILWDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8-6-10(2)7-11-5-3-4-9(8)11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine?
2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine has a molecular weight of 154.26 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine is sourced from PubChem (CID 139525401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).