N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine

C12H18IN3 — CID 66339901

IUPACN-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine
SMILESCCC1CCC(Nc2ncncc2I)CC1
InChIInChI=1S/C12H18IN3/c1-2-9-3-5-10(6-4-9)16-12-11(13)7-14-8-15-12/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyTUMUHEYSOCXJDZ-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.46
Rot. Bonds3

About N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine

N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine (PubChem CID 66339901) has the molecular formula C12H18IN3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine
PubChem CID66339901
Molecular FormulaC12H18IN3
Molecular Weight331.20 g/mol
Exact Mass331.05
IUPAC NameN-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine
SMILESCCC1CCC(Nc2ncncc2I)CC1
InChIInChI=1S/C12H18IN3/c1-2-9-3-5-10(6-4-9)16-12-11(13)7-14-8-15-12/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyTUMUHEYSOCXJDZ-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.46
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

[4-(2-Dipropylamino-ethyl)-cyclohexyl]-pyrimidin-2-yl-amine
CID 10756932
Adamantan-2-yl(2-chloro-5-fluoropyrimidin-4-yl)amine
CID 4901319
5-Iodo-N4-(trans-4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 68354812
2-N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 95874852
2-N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 125439178
4-N,4-N,5-trimethyl-2-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidine-2,4-diamine
CID 125518351
N,4-dimethyl-N-[(2-methylpyrimidin-5-yl)methyl]cyclohexan-1-amine
CID 137957804
(1R)-1-cyclohexyl-N-(5-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 164641124
5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 67144247
5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 67144388
2-chloro-5-fluoro-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 79080515
N1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methylcyclohexane-1,3-diamine
CID 86667457

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine (CID 66339901) is N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine is CCC1CCC(Nc2ncncc2I)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
The InChIKey is TUMUHEYSOCXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3/c1-2-9-3-5-10(6-4-9)16-12-11(13)7-14-8-15-12/h7-10H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine has a molecular weight of 331.20 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66339901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).