N-cyclopropyl-4-iodopyrimidin-2-amine

C7H8IN3 — CID 130116480

IUPACN-cyclopropyl-4-iodopyrimidin-2-amine
SMILESIc1ccnc(NC2CC2)n1
InChIInChI=1S/C7H8IN3/c8-6-3-4-9-7(11-6)10-5-1-2-5/h3-5H,1-2H2,(H,9,10,11)
InChIKeyDKMMBYHHLDKAJC-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.66
Rot. Bonds2

About N-cyclopropyl-4-iodopyrimidin-2-amine

N-cyclopropyl-4-iodopyrimidin-2-amine (PubChem CID 130116480) has the molecular formula C7H8IN3 and a molecular weight of 261.07 g/mol. Its IUPAC name is N-cyclopropyl-4-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-iodopyrimidin-2-amine
PubChem CID130116480
Molecular FormulaC7H8IN3
Molecular Weight261.07 g/mol
Exact Mass260.98
IUPAC NameN-cyclopropyl-4-iodopyrimidin-2-amine
SMILESIc1ccnc(NC2CC2)n1
InChIInChI=1S/C7H8IN3/c8-6-3-4-9-7(11-6)10-5-1-2-5/h3-5H,1-2H2,(H,9,10,11)
InChIKeyDKMMBYHHLDKAJC-UHFFFAOYSA-N
XLogP1.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.66
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

2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
4-(1-aminoethyl)-N-cyclopropylpyrimidin-2-amine
CID 130595504
4-chloro-N-cyclohexylpyrimidin-2-amine
CID 87190061
N-cyclopropyl-4-(3-methylpyrazin-2-yl)pyrimidin-2-amine
CID 114080483
2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543494
4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 18460887
4-methyl-N-piperidin-4-ylpyrimidin-2-amine
CID 59744254
2-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 70341229
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
N-(3-methoxycyclopentyl)-4-methylpyrimidin-2-amine
CID 103081989
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-iodopyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-iodopyrimidin-2-amine (CID 130116480) is N-cyclopropyl-4-iodopyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-iodopyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-iodopyrimidin-2-amine is Ic1ccnc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-iodopyrimidin-2-amine?
The InChIKey is DKMMBYHHLDKAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN3/c8-6-3-4-9-7(11-6)10-5-1-2-5/h3-5H,1-2H2,(H,9,10,11).
What are the key properties of N-cyclopropyl-4-iodopyrimidin-2-amine?
N-cyclopropyl-4-iodopyrimidin-2-amine has a molecular weight of 261.07 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-iodopyrimidin-2-amine is sourced from PubChem (CID 130116480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).