6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine

C14H20IN5 — CID 80988536

IUPAC6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(-n2cc(I)cn2)c1C
InChIInChI=1S/C14H20IN5/c1-4-6-12-18-13(16-7-5-2)10(3)14(19-12)20-9-11(15)8-17-20/h8-9H,4-7H2,1-3H3,(H,16,18,19)
InChIKeyWDBSZAHLWSKXBJ-UHFFFAOYSA-N
MW385.25 g/mol
LogP3.35
Rot. Bonds6

About 6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine

6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine (PubChem CID 80988536) has the molecular formula C14H20IN5 and a molecular weight of 385.25 g/mol. Its IUPAC name is 6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
PubChem CID80988536
Molecular FormulaC14H20IN5
Molecular Weight385.25 g/mol
Exact Mass385.08
IUPAC Name6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(-n2cc(I)cn2)c1C
InChIInChI=1S/C14H20IN5/c1-4-6-12-18-13(16-7-5-2)10(3)14(19-12)20-9-11(15)8-17-20/h8-9H,4-7H2,1-3H3,(H,16,18,19)
InChIKeyWDBSZAHLWSKXBJ-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'}

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Related Compounds

N,5-dimethyl-6-(4-methylpyrazol-1-yl)-2-propylpyrimidin-4-amine
CID 80992979
N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80989270
6-(2-ethylimidazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80991668
5-methyl-6-(4-methylpyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80992723
1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 80981249
6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine
CID 80868903
4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80980867
6-(1-ethylimidazol-2-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80974842
N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidin-4-amine
CID 80992338
4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine
CID 80868653
6-N,5-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991956
2-ethyl-5-methyl-N-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80992240

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine (CID 80988536) is 6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine is CCCNc1nc(CCC)nc(-n2cc(I)cn2)c1C.
What is the InChIKey of 6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine?
The InChIKey is WDBSZAHLWSKXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN5/c1-4-6-12-18-13(16-7-5-2)10(3)14(19-12)20-9-11(15)8-17-20/h8-9H,4-7H2,1-3H3,(H,16,18,19).
What are the key properties of 6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine?
6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-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 6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80988536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).