2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine

C19H32N2O3 — CID 142390727

IUPAC2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine
SMILESCOC1CC(Oc2cnc(CC(C)CC(C)COC(C)C)nc2)C1
InChIInChI=1S/C19H32N2O3/c1-13(2)23-12-15(4)6-14(3)7-19-20-10-18(11-21-19)24-17-8-16(9-17)22-5/h10-11,13-17H,6-9,12H2,1-5H3
InChIKeyRRBVKPRPVADRMK-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.66
Rot. Bonds10

About 2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine

2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine (PubChem CID 142390727) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine.

Molecular Properties

Compound Name2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine
PubChem CID142390727
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine
SMILESCOC1CC(Oc2cnc(CC(C)CC(C)COC(C)C)nc2)C1
InChIInChI=1S/C19H32N2O3/c1-13(2)23-12-15(4)6-14(3)7-19-20-10-18(11-21-19)24-17-8-16(9-17)22-5/h10-11,13-17H,6-9,12H2,1-5H3
InChIKeyRRBVKPRPVADRMK-UHFFFAOYSA-N
XLogP3.66
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine?
The IUPAC name of 2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine (CID 142390727) is 2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine.
What is the SMILES notation for 2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine?
The canonical SMILES for 2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine is COC1CC(Oc2cnc(CC(C)CC(C)COC(C)C)nc2)C1.
What is the InChIKey of 2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine?
The InChIKey is RRBVKPRPVADRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-13(2)23-12-15(4)6-14(3)7-19-20-10-18(11-21-19)24-17-8-16(9-17)22-5/h10-11,13-17H,6-9,12H2,1-5H3.
What are the key properties of 2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine?
2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine has a molecular weight of 336.48 g/mol, XLogP of 3.66, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine is sourced from PubChem (CID 142390727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).