N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine

C14H20IN5 — CID 103570534

IUPACN-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cnn(CC)c2)nc(NCC)c1I
InChIInChI=1S/C14H20IN5/c1-4-7-11-12(15)14(16-5-2)19-13(18-11)10-8-17-20(6-3)9-10/h8-9H,4-7H2,1-3H3,(H,16,18,19)
InChIKeyBXFTYXHVFKESLU-UHFFFAOYSA-N
MW385.25 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine

N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 103570534) has the molecular formula C14H20IN5 and a molecular weight of 385.25 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
PubChem CID103570534
Molecular FormulaC14H20IN5
Molecular Weight385.25 g/mol
Exact Mass385.08
IUPAC NameN-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cnn(CC)c2)nc(NCC)c1I
InChIInChI=1S/C14H20IN5/c1-4-7-11-12(15)14(16-5-2)19-13(18-11)10-8-17-20(6-3)9-10/h8-9H,4-7H2,1-3H3,(H,16,18,19)
InChIKeyBXFTYXHVFKESLU-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573026
N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036
2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570532
N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306988
6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573035
3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
CID 66296345
2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66304800
2-(4-bromo-3-fluorophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 81441077
5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 103570523
N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66306784
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 103570156

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine (CID 103570534) is N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(-c2cnn(CC)c2)nc(NCC)c1I.
What is the InChIKey of N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is BXFTYXHVFKESLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN5/c1-4-7-11-12(15)14(16-5-2)19-13(18-11)10-8-17-20(6-3)9-10/h8-9H,4-7H2,1-3H3,(H,16,18,19).
What are the key properties of N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine?
N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 385.25 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 103570534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).