4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine

C11H20N2 — CID 137444785

IUPAC4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine
SMILESCCCC(C)(CC)C1C=CNC=N1
InChIInChI=1S/C11H20N2/c1-4-7-11(3,5-2)10-6-8-12-9-13-10/h6,8-10H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyYLQNQIIGCHSACC-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.72
Rot. Bonds4

About 4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine

4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine (PubChem CID 137444785) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine
PubChem CID137444785
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine
SMILESCCCC(C)(CC)C1C=CNC=N1
InChIInChI=1S/C11H20N2/c1-4-7-11(3,5-2)10-6-8-12-9-13-10/h6,8-10H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyYLQNQIIGCHSACC-UHFFFAOYSA-N
XLogP2.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine?
The IUPAC name of 4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine (CID 137444785) is 4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine?
The canonical SMILES for 4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine is CCCC(C)(CC)C1C=CNC=N1.
What is the InChIKey of 4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine?
The InChIKey is YLQNQIIGCHSACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-7-11(3,5-2)10-6-8-12-9-13-10/h6,8-10H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of 4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine?
4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine has a molecular weight of 180.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylhexan-3-yl)-1,4-dihydropyrimidine is sourced from PubChem (CID 137444785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).