1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine

C13H26N2 — CID 11031112

IUPAC1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine
SMILESCCCCN1CC(C)(C)CN=C1CCC
InChIInChI=1S/C13H26N2/c1-5-7-9-15-11-13(3,4)10-14-12(15)8-6-2/h5-11H2,1-4H3
InChIKeyPWDNMSHPJWYYBK-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.33
Rot. Bonds5

About 1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine

1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine (PubChem CID 11031112) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine.

Molecular Properties

Compound Name1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine
PubChem CID11031112
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine
SMILESCCCCN1CC(C)(C)CN=C1CCC
InChIInChI=1S/C13H26N2/c1-5-7-9-15-11-13(3,4)10-14-12(15)8-6-2/h5-11H2,1-4H3
InChIKeyPWDNMSHPJWYYBK-UHFFFAOYSA-N
XLogP3.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine?
The IUPAC name of 1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine (CID 11031112) is 1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine.
What is the SMILES notation for 1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine?
The canonical SMILES for 1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine is CCCCN1CC(C)(C)CN=C1CCC.
What is the InChIKey of 1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine?
The InChIKey is PWDNMSHPJWYYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-7-9-15-11-13(3,4)10-14-12(15)8-6-2/h5-11H2,1-4H3.
What are the key properties of 1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine?
1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine has a molecular weight of 210.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5,5-dimethyl-2-propyl-4,6-dihydropyrimidine is sourced from PubChem (CID 11031112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).