N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine

C16H26IN3O — CID 116776832

IUPACN,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
SMILESCCNc1nc(C2(OC)CCC(C)CC2)nc(CC)c1I
InChIInChI=1S/C16H26IN3O/c1-5-12-13(17)14(18-6-2)20-15(19-12)16(21-4)9-7-11(3)8-10-16/h11H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyVDRQIHCUZHLWJD-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.13
Rot. Bonds5

About N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine

N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 116776832) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
PubChem CID116776832
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC NameN,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
SMILESCCNc1nc(C2(OC)CCC(C)CC2)nc(CC)c1I
InChIInChI=1S/C16H26IN3O/c1-5-12-13(17)14(18-6-2)20-15(19-12)16(21-4)9-7-11(3)8-10-16/h11H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyVDRQIHCUZHLWJD-UHFFFAOYSA-N
XLogP4.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611744
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
CID 113432898
N-ethyl-5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611750
2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 116776795
5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116776664
5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777303
2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 116776844
4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116746100
6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776714
2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741032
N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine
CID 116777128
1-[2-(1-methoxy-4-methylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 116779383

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine (CID 116776832) is N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine is CCNc1nc(C2(OC)CCC(C)CC2)nc(CC)c1I.
What is the InChIKey of N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is VDRQIHCUZHLWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN3O/c1-5-12-13(17)14(18-6-2)20-15(19-12)16(21-4)9-7-11(3)8-10-16/h11H,5-10H2,1-4H3,(H,18,19,20).
What are the key properties of N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine?
N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 403.31 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 116776832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).