1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine

C17H30N2 — CID 177475844

IUPAC1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine
SMILESCC1=CCN(C2CCCCC2)CN1C1CCCCC1
InChIInChI=1S/C17H30N2/c1-15-12-13-18(16-8-4-2-5-9-16)14-19(15)17-10-6-3-7-11-17/h12,16-17H,2-11,13-14H2,1H3
InChIKeyIQIKGTHFIFYDKH-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.13
Rot. Bonds2

About 1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine

1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine (PubChem CID 177475844) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine
PubChem CID177475844
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine
SMILESCC1=CCN(C2CCCCC2)CN1C1CCCCC1
InChIInChI=1S/C17H30N2/c1-15-12-13-18(16-8-4-2-5-9-16)14-19(15)17-10-6-3-7-11-17/h12,16-17H,2-11,13-14H2,1H3
InChIKeyIQIKGTHFIFYDKH-UHFFFAOYSA-N
XLogP4.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine?
The IUPAC name of 1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine (CID 177475844) is 1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine.
What is the SMILES notation for 1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine?
The canonical SMILES for 1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine is CC1=CCN(C2CCCCC2)CN1C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine?
The InChIKey is IQIKGTHFIFYDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-15-12-13-18(16-8-4-2-5-9-16)14-19(15)17-10-6-3-7-11-17/h12,16-17H,2-11,13-14H2,1H3.
What are the key properties of 1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine?
1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine has a molecular weight of 262.44 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine is sourced from PubChem (CID 177475844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).