N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine

C16H22N4 — CID 61239358

IUPACN-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine
SMILESCCc1cc(N(Cc2ccccc2N)C(C)C)ncn1
InChIInChI=1S/C16H22N4/c1-4-14-9-16(19-11-18-14)20(12(2)3)10-13-7-5-6-8-15(13)17/h5-9,11-12H,4,10,17H2,1-3H3
InChIKeyGBIZBTIQRJABSV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.04
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine

N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 61239358) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID61239358
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine
SMILESCCc1cc(N(Cc2ccccc2N)C(C)C)ncn1
InChIInChI=1S/C16H22N4/c1-4-14-9-16(19-11-18-14)20(12(2)3)10-13-7-5-6-8-15(13)17/h5-9,11-12H,4,10,17H2,1-3H3
InChIKeyGBIZBTIQRJABSV-UHFFFAOYSA-N
XLogP3.04
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine (CID 61239358) is N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine is CCc1cc(N(Cc2ccccc2N)C(C)C)ncn1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is GBIZBTIQRJABSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-14-9-16(19-11-18-14)20(12(2)3)10-13-7-5-6-8-15(13)17/h5-9,11-12H,4,10,17H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine?
N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 61239358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).