N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine

C14H22IN3O — CID 116777128

IUPACN-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine
SMILESCCNc1nc(C2(OC)CCCC(C)C2)ncc1I
InChIInChI=1S/C14H22IN3O/c1-4-16-12-11(15)9-17-13(18-12)14(19-3)7-5-6-10(2)8-14/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyZQVMFOBWCUMXQB-UHFFFAOYSA-N
MW375.25 g/mol
LogP3.56
Rot. Bonds4

About N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine

N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 116777128) has the molecular formula C14H22IN3O and a molecular weight of 375.25 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine
PubChem CID116777128
Molecular FormulaC14H22IN3O
Molecular Weight375.25 g/mol
Exact Mass375.08
IUPAC NameN-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine
SMILESCCNc1nc(C2(OC)CCCC(C)C2)ncc1I
InChIInChI=1S/C14H22IN3O/c1-4-16-12-11(15)9-17-13(18-12)14(19-3)7-5-6-10(2)8-14/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyZQVMFOBWCUMXQB-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine (CID 116777128) is N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine is CCNc1nc(C2(OC)CCCC(C)C2)ncc1I.
What is the InChIKey of N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is ZQVMFOBWCUMXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN3O/c1-4-16-12-11(15)9-17-13(18-12)14(19-3)7-5-6-10(2)8-14/h9-10H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine?
N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 375.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 116777128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).