5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine

C10H12IN5 — CID 103573052

IUPAC5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCn1cc(-c2ncc(I)c(N)n2)cn1
InChIInChI=1S/C10H12IN5/c1-2-3-16-6-7(4-14-16)10-13-5-8(11)9(12)15-10/h4-6H,2-3H2,1H3,(H2,12,13,15)
InChIKeyMADJJMQRMOCOQE-UHFFFAOYSA-N
MW329.15 g/mol
LogP1.94
Rot. Bonds3

About 5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine

5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 103573052) has the molecular formula C10H12IN5 and a molecular weight of 329.15 g/mol. Its IUPAC name is 5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID103573052
Molecular FormulaC10H12IN5
Molecular Weight329.15 g/mol
Exact Mass329.01
IUPAC Name5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCn1cc(-c2ncc(I)c(N)n2)cn1
InChIInChI=1S/C10H12IN5/c1-2-3-16-6-7(4-14-16)10-13-5-8(11)9(12)15-10/h4-6H,2-3H2,1H3,(H2,12,13,15)
InChIKeyMADJJMQRMOCOQE-UHFFFAOYSA-N
XLogP1.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine
CID 103570563
2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570532
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
2-(4-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297425
6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573035
N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036
N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573026
4-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 104877313
6-methyl-5-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 79048911
4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572455
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline
CID 171921636

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine (CID 103573052) is 5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine is CCCn1cc(-c2ncc(I)c(N)n2)cn1.
What is the InChIKey of 5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is MADJJMQRMOCOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5/c1-2-3-16-6-7(4-14-16)10-13-5-8(11)9(12)15-10/h4-6H,2-3H2,1H3,(H2,12,13,15).
What are the key properties of 5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 329.15 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 103573052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).