3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine

C19H34N2 — CID 130218762

IUPAC3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine
SMILESCC(C)C1=NC(C)(C(C)(C)C)C(C(C)(C)C)=C2CCCN12
InChIInChI=1S/C19H34N2/c1-13(2)16-20-19(9,18(6,7)8)15(17(3,4)5)14-11-10-12-21(14)16/h13H,10-12H2,1-9H3
InChIKeyBOSFYBXFCWTQDV-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.26
Rot. Bonds1

About 3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine

3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine (PubChem CID 130218762) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine.

Molecular Properties

Compound Name3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine
PubChem CID130218762
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine
SMILESCC(C)C1=NC(C)(C(C)(C)C)C(C(C)(C)C)=C2CCCN12
InChIInChI=1S/C19H34N2/c1-13(2)16-20-19(9,18(6,7)8)15(17(3,4)5)14-11-10-12-21(14)16/h13H,10-12H2,1-9H3
InChIKeyBOSFYBXFCWTQDV-UHFFFAOYSA-N
XLogP5.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine?
The IUPAC name of 3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine (CID 130218762) is 3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine.
What is the SMILES notation for 3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine?
The canonical SMILES for 3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine is CC(C)C1=NC(C)(C(C)(C)C)C(C(C)(C)C)=C2CCCN12.
What is the InChIKey of 3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine?
The InChIKey is BOSFYBXFCWTQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-13(2)16-20-19(9,18(6,7)8)15(17(3,4)5)14-11-10-12-21(14)16/h13H,10-12H2,1-9H3.
What are the key properties of 3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine?
3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine has a molecular weight of 290.50 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine is sourced from PubChem (CID 130218762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).