N,N-dicyclohexyl-5-iodopyrimidin-4-amine

C16H24IN3 — CID 66342186

IUPACN,N-dicyclohexyl-5-iodopyrimidin-4-amine
SMILESIc1cncnc1N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H24IN3/c17-15-11-18-12-19-16(15)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h11-14H,1-10H2
InChIKeyUKAYHCGEZPCPIE-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.55
Rot. Bonds3

About N,N-dicyclohexyl-5-iodopyrimidin-4-amine

N,N-dicyclohexyl-5-iodopyrimidin-4-amine (PubChem CID 66342186) has the molecular formula C16H24IN3 and a molecular weight of 385.29 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dicyclohexyl-5-iodopyrimidin-4-amine
PubChem CID66342186
Molecular FormulaC16H24IN3
Molecular Weight385.29 g/mol
Exact Mass385.10
IUPAC NameN,N-dicyclohexyl-5-iodopyrimidin-4-amine
SMILESIc1cncnc1N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H24IN3/c17-15-11-18-12-19-16(15)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h11-14H,1-10H2
InChIKeyUKAYHCGEZPCPIE-UHFFFAOYSA-N
XLogP4.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-iodopyrimidin-4-amine?
The IUPAC name of N,N-dicyclohexyl-5-iodopyrimidin-4-amine (CID 66342186) is N,N-dicyclohexyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for N,N-dicyclohexyl-5-iodopyrimidin-4-amine?
The canonical SMILES for N,N-dicyclohexyl-5-iodopyrimidin-4-amine is Ic1cncnc1N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-5-iodopyrimidin-4-amine?
The InChIKey is UKAYHCGEZPCPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN3/c17-15-11-18-12-19-16(15)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h11-14H,1-10H2.
What are the key properties of N,N-dicyclohexyl-5-iodopyrimidin-4-amine?
N,N-dicyclohexyl-5-iodopyrimidin-4-amine has a molecular weight of 385.29 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66342186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).