N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine

C16H19N3 — CID 63081004

IUPACN-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine
SMILESCCNc1ccnc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C16H19N3/c1-2-17-14-9-12-18-15(19-14)16(10-6-11-16)13-7-4-3-5-8-13/h3-5,7-9,12H,2,6,10-11H2,1H3,(H,17,18,19)
InChIKeyOJBVFWDNEHSCME-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.38
Rot. Bonds4

About N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine

N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine (PubChem CID 63081004) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine
PubChem CID63081004
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine
SMILESCCNc1ccnc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C16H19N3/c1-2-17-14-9-12-18-15(19-14)16(10-6-11-16)13-7-4-3-5-8-13/h3-5,7-9,12H,2,6,10-11H2,1H3,(H,17,18,19)
InChIKeyOJBVFWDNEHSCME-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine (CID 63081004) is N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine is CCNc1ccnc(C2(c3ccccc3)CCC2)n1.
What is the InChIKey of N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
The InChIKey is OJBVFWDNEHSCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-17-14-9-12-18-15(19-14)16(10-6-11-16)13-7-4-3-5-8-13/h3-5,7-9,12H,2,6,10-11H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine?
N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine is sourced from PubChem (CID 63081004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).