1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine

C12H24N2 — CID 14457266

IUPAC1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine
SMILESCC(C)CC1=NCCCN1CC(C)C
InChIInChI=1S/C12H24N2/c1-10(2)8-12-13-6-5-7-14(12)9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyRYHKDIYXDIUYBQ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.79
Rot. Bonds4

About 1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine

1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine (PubChem CID 14457266) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine
PubChem CID14457266
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine
SMILESCC(C)CC1=NCCCN1CC(C)C
InChIInChI=1S/C12H24N2/c1-10(2)8-12-13-6-5-7-14(12)9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyRYHKDIYXDIUYBQ-UHFFFAOYSA-N
XLogP2.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine (CID 14457266) is 1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine is CC(C)CC1=NCCCN1CC(C)C.
What is the InChIKey of 1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine?
The InChIKey is RYHKDIYXDIUYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)8-12-13-6-5-7-14(12)9-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine?
1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine has a molecular weight of 196.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylpropyl)-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 14457266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).