5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

C12H17IN6 — CID 66300350

IUPAC5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2ncn[nH]2)nc(C(C)C)c1I
InChIInChI=1S/C12H17IN6/c1-4-5-14-10-8(13)9(7(2)3)17-12(18-10)11-15-6-16-19-11/h6-7H,4-5H2,1-3H3,(H,14,17,18)(H,15,16,19)
InChIKeyXQQAWARVVCPOTG-UHFFFAOYSA-N
MW372.21 g/mol
LogP2.81
Rot. Bonds5

About 5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine

5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (PubChem CID 66300350) has the molecular formula C12H17IN6 and a molecular weight of 372.21 g/mol. Its IUPAC name is 5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
PubChem CID66300350
Molecular FormulaC12H17IN6
Molecular Weight372.21 g/mol
Exact Mass372.06
IUPAC Name5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
SMILESCCCNc1nc(-c2ncn[nH]2)nc(C(C)C)c1I
InChIInChI=1S/C12H17IN6/c1-4-5-14-10-8(13)9(7(2)3)17-12(18-10)11-15-6-16-19-11/h6-7H,4-5H2,1-3H3,(H,14,17,18)(H,15,16,19)
InChIKeyXQQAWARVVCPOTG-UHFFFAOYSA-N
XLogP2.81
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-5-methyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 63560813
5-iodo-2-(5-methylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66296414
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299562
2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300943
2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300153
2-benzyl-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300352
5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66299761
5-iodo-2-(1-methoxy-2,2-dimethylpropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 116729693
2-[2-(dimethylamino)ethyl]-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115347066
6-cyclopropyl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 63354762
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 107504360

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine (CID 66300350) is 5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is CCCNc1nc(-c2ncn[nH]2)nc(C(C)C)c1I.
What is the InChIKey of 5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
The InChIKey is XQQAWARVVCPOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN6/c1-4-5-14-10-8(13)9(7(2)3)17-12(18-10)11-15-6-16-19-11/h6-7H,4-5H2,1-3H3,(H,14,17,18)(H,15,16,19).
What are the key properties of 5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine?
5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine has a molecular weight of 372.21 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 66300350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).