N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine

C14H15IN4 — CID 116648705

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine
SMILESNc1ccccc1CN(c1ncc(I)cn1)C1CC1
InChIInChI=1S/C14H15IN4/c15-11-7-17-14(18-8-11)19(12-5-6-12)9-10-3-1-2-4-13(10)16/h1-4,7-8,12H,5-6,9,16H2
InChIKeyLZVMZGMPKZPNBS-UHFFFAOYSA-N
MW366.21 g/mol
LogP2.83
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine

N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine (PubChem CID 116648705) has the molecular formula C14H15IN4 and a molecular weight of 366.21 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine
PubChem CID116648705
Molecular FormulaC14H15IN4
Molecular Weight366.21 g/mol
Exact Mass366.03
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine
SMILESNc1ccccc1CN(c1ncc(I)cn1)C1CC1
InChIInChI=1S/C14H15IN4/c15-11-7-17-14(18-8-11)19(12-5-6-12)9-10-3-1-2-4-13(10)16/h1-4,7-8,12H,5-6,9,16H2
InChIKeyLZVMZGMPKZPNBS-UHFFFAOYSA-N
XLogP2.83
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine (CID 116648705) is N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine is Nc1ccccc1CN(c1ncc(I)cn1)C1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine?
The InChIKey is LZVMZGMPKZPNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN4/c15-11-7-17-14(18-8-11)19(12-5-6-12)9-10-3-1-2-4-13(10)16/h1-4,7-8,12H,5-6,9,16H2.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine?
N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine has a molecular weight of 366.21 g/mol, XLogP of 2.83, 4 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-5-iodopyrimidin-2-amine is sourced from PubChem (CID 116648705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).