N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine

C12H18IN3 — CID 116648422

IUPACN-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine
SMILESCC1CC(C)CC(Nc2ncc(I)cn2)C1
InChIInChI=1S/C12H18IN3/c1-8-3-9(2)5-11(4-8)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyRVYKHUUJNFGQEI-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.32
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine

N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine (PubChem CID 116648422) has the molecular formula C12H18IN3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine
PubChem CID116648422
Molecular FormulaC12H18IN3
Molecular Weight331.20 g/mol
Exact Mass331.05
IUPAC NameN-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine
SMILESCC1CC(C)CC(Nc2ncc(I)cn2)C1
InChIInChI=1S/C12H18IN3/c1-8-3-9(2)5-11(4-8)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyRVYKHUUJNFGQEI-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.32
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-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine
CID 79557581
5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671858
5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine
CID 104844272
2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine
CID 116649220
N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine
CID 104843859
5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 113459447
N-(3-chloro-2,2-dimethylcyclobutyl)-5-iodopyrimidin-2-amine
CID 114632036
N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine
CID 107587637
5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine
CID 114695529
tert-butyl N-[(1S,3S)-3-[(5-iodopyrimidin-2-yl)amino]cyclopentyl]carbamate
CID 171767267
5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80841105
N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline
CID 64752738

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine (CID 116648422) is N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine is CC1CC(C)CC(Nc2ncc(I)cn2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine?
The InChIKey is RVYKHUUJNFGQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3/c1-8-3-9(2)5-11(4-8)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine?
N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine has a molecular weight of 331.20 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine is sourced from PubChem (CID 116648422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).