N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine

C18H23N3 — CID 63486293

IUPACN,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine
SMILESCCNc1cc(CC)nc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C18H23N3/c1-3-15-13-16(19-4-2)21-17(20-15)18(11-8-12-18)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,19,20,21)
InChIKeyWDIGDTWIHLLTOQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.94
Rot. Bonds5

About N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine

N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine (PubChem CID 63486293) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine
PubChem CID63486293
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine
SMILESCCNc1cc(CC)nc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C18H23N3/c1-3-15-13-16(19-4-2)21-17(20-15)18(11-8-12-18)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,19,20,21)
InChIKeyWDIGDTWIHLLTOQ-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine (CID 63486293) is N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine is CCNc1cc(CC)nc(C2(c3ccccc3)CCC2)n1.
What is the InChIKey of N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
The InChIKey is WDIGDTWIHLLTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-15-13-16(19-4-2)21-17(20-15)18(11-8-12-18)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine is sourced from PubChem (CID 63486293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).