N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine

C16H20N4 — CID 61239551

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine
SMILESCCc1cc(N(Cc2ccccc2N)C2CC2)ncn1
InChIInChI=1S/C16H20N4/c1-2-13-9-16(19-11-18-13)20(14-7-8-14)10-12-5-3-4-6-15(12)17/h3-6,9,11,14H,2,7-8,10,17H2,1H3
InChIKeyOVFWCTAHWQNHHO-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.79
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine

N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine (PubChem CID 61239551) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine
PubChem CID61239551
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine
SMILESCCc1cc(N(Cc2ccccc2N)C2CC2)ncn1
InChIInChI=1S/C16H20N4/c1-2-13-9-16(19-11-18-13)20(14-7-8-14)10-12-5-3-4-6-15(12)17/h3-6,9,11,14H,2,7-8,10,17H2,1H3
InChIKeyOVFWCTAHWQNHHO-UHFFFAOYSA-N
XLogP2.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.79
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]-N-cyclopropyl-6-ethylpyrimidin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine (CID 61239551) is N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine is CCc1cc(N(Cc2ccccc2N)C2CC2)ncn1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine?
The InChIKey is OVFWCTAHWQNHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-13-9-16(19-11-18-13)20(14-7-8-14)10-12-5-3-4-6-15(12)17/h3-6,9,11,14H,2,7-8,10,17H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine?
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 2.79, 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]-N-cyclopropyl-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 61239551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).