5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine

C12H14IN5 — CID 66306328

IUPAC5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ncccn2)nc(C)c1I
InChIInChI=1S/C12H14IN5/c1-3-5-14-10-9(13)8(2)17-12(18-10)11-15-6-4-7-16-11/h4,6-7H,3,5H2,1-2H3,(H,14,17,18)
InChIKeyHTLVKAADHPKRQT-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.67
Rot. Bonds4

About 5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine

5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 66306328) has the molecular formula C12H14IN5 and a molecular weight of 355.18 g/mol. Its IUPAC name is 5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID66306328
Molecular FormulaC12H14IN5
Molecular Weight355.18 g/mol
Exact Mass355.03
IUPAC Name5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ncccn2)nc(C)c1I
InChIInChI=1S/C12H14IN5/c1-3-5-14-10-9(13)8(2)17-12(18-10)11-15-6-4-7-16-11/h4,6-7H,3,5H2,1-2H3,(H,14,17,18)
InChIKeyHTLVKAADHPKRQT-UHFFFAOYSA-N
XLogP2.67
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.67
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

6-methyl-5-propan-2-yl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 62913276
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66307321
2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66297674
2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305936
N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55045480
2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305737
5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66299847
5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 66305532
5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 66305735
5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148158
6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine
CID 66301189

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine (CID 66306328) is 5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine is CCCNc1nc(-c2ncccn2)nc(C)c1I.
What is the InChIKey of 5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is HTLVKAADHPKRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN5/c1-3-5-14-10-9(13)8(2)17-12(18-10)11-15-6-4-7-16-11/h4,6-7H,3,5H2,1-2H3,(H,14,17,18).
What are the key properties of 5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine?
5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 355.18 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66306328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).