6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine

C14H18IN5 — CID 66311622

IUPAC6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2cncn2C(C)C)nc(C2CC2)c1I
InChIInChI=1S/C14H18IN5/c1-8(2)20-7-17-6-10(20)13-18-12(9-4-5-9)11(15)14(16-3)19-13/h6-9H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyBYHZMICSEIQDJT-UHFFFAOYSA-N
MW383.24 g/mol
LogP3.44
Rot. Bonds4

About 6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine

6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine (PubChem CID 66311622) has the molecular formula C14H18IN5 and a molecular weight of 383.24 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
PubChem CID66311622
Molecular FormulaC14H18IN5
Molecular Weight383.24 g/mol
Exact Mass383.06
IUPAC Name6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2cncn2C(C)C)nc(C2CC2)c1I
InChIInChI=1S/C14H18IN5/c1-8(2)20-7-17-6-10(20)13-18-12(9-4-5-9)11(15)14(16-3)19-13/h6-9H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyBYHZMICSEIQDJT-UHFFFAOYSA-N
XLogP3.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 53.44
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-cyclopropyl-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine
CID 66164346
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66302773
6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 79584414
6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302167
4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
CID 115926489
2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302370
6-cyclopropyl-5-iodo-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 113472434
6-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
CID 66164544
N-methyl-3-(3-propan-2-ylimidazol-4-yl)pyrazin-2-amine
CID 112559230
4-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360885
2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 102844086
6-cyclopropyl-5-iodo-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79196796

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine (CID 66311622) is 6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine is CNc1nc(-c2cncn2C(C)C)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine?
The InChIKey is BYHZMICSEIQDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN5/c1-8(2)20-7-17-6-10(20)13-18-12(9-4-5-9)11(15)14(16-3)19-13/h6-9H,4-5H2,1-3H3,(H,16,18,19).
What are the key properties of 6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine has a molecular weight of 383.24 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-N-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66311622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).