N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine

C15H22IN5 — CID 103573026

IUPACN-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCc1nc(-c2cnn(CCC)c2)nc(NCC)c1I
InChIInChI=1S/C15H22IN5/c1-4-7-12-13(16)15(17-6-3)20-14(19-12)11-9-18-21(10-11)8-5-2/h9-10H,4-8H2,1-3H3,(H,17,19,20)
InChIKeyHKIFWKRDUXLLKU-UHFFFAOYSA-N
MW399.28 g/mol
LogP3.74
Rot. Bonds7

About N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine

N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 103573026) has the molecular formula C15H22IN5 and a molecular weight of 399.28 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID103573026
Molecular FormulaC15H22IN5
Molecular Weight399.28 g/mol
Exact Mass399.09
IUPAC NameN-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCc1nc(-c2cnn(CCC)c2)nc(NCC)c1I
InChIInChI=1S/C15H22IN5/c1-4-7-12-13(16)15(17-6-3)20-14(19-12)11-9-18-21(10-11)8-5-2/h9-10H,4-8H2,1-3H3,(H,17,19,20)
InChIKeyHKIFWKRDUXLLKU-UHFFFAOYSA-N
XLogP3.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-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,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036
N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570534
6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573035
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
2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66304800
N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977825
3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
CID 66296345
2-(4-bromo-3-fluorophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 81441077
[2-(1-propylpyrazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 103573096
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine (CID 103573026) is N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine is CCCc1nc(-c2cnn(CCC)c2)nc(NCC)c1I.
What is the InChIKey of N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is HKIFWKRDUXLLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN5/c1-4-7-12-13(16)15(17-6-3)20-14(19-12)11-9-18-21(10-11)8-5-2/h9-10H,4-8H2,1-3H3,(H,17,19,20).
What are the key properties of N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 399.28 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 103573026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).