4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine

C14H14IN3 — CID 118160856

IUPAC4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine
SMILESCc1cc(I)cc(Nc2nccc(C3CC3)n2)c1
InChIInChI=1S/C14H14IN3/c1-9-6-11(15)8-12(7-9)17-14-16-5-4-13(18-14)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,16,17,18)
InChIKeyHKKZOSPGWCICMB-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.01
Rot. Bonds3

About 4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine

4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine (PubChem CID 118160856) has the molecular formula C14H14IN3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine
PubChem CID118160856
Molecular FormulaC14H14IN3
Molecular Weight351.19 g/mol
Exact Mass351.02
IUPAC Name4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine
SMILESCc1cc(I)cc(Nc2nccc(C3CC3)n2)c1
InChIInChI=1S/C14H14IN3/c1-9-6-11(15)8-12(7-9)17-14-16-5-4-13(18-14)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,16,17,18)
InChIKeyHKKZOSPGWCICMB-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[3-[(4-cyclopropylpyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 72706807
N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine
CID 67249356
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine
CID 67815515
cis-(1R,4S)-4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid
CID 67249490
2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881826
5-[5-[3-[(4-cyclohexylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-1-azabicyclo[3.2.0]heptan-7-one
CID 71075368
4-(2-bromo-1,3-thiazol-4-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 11233745
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
3-[4-[3-[(4-cyclopropylpyrimidin-2-yl)amino]phenyl]-2-methylphenyl]propanoic acid
CID 90041986
N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 58974728
N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 15653050
4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 11209142

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine (CID 118160856) is 4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine is Cc1cc(I)cc(Nc2nccc(C3CC3)n2)c1.
What is the InChIKey of 4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine?
The InChIKey is HKKZOSPGWCICMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3/c1-9-6-11(15)8-12(7-9)17-14-16-5-4-13(18-14)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,16,17,18).
What are the key properties of 4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine?
4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine has a molecular weight of 351.19 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(3-iodo-5-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 118160856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).