N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine

C15H26N4O2 — CID 115975401

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCCCOC2CCC(N)CC2)n1
InChIInChI=1S/C15H26N4O2/c1-2-20-14-8-10-18-15(19-14)17-9-3-11-21-13-6-4-12(16)5-7-13/h8,10,12-13H,2-7,9,11,16H2,1H3,(H,17,18,19)
InChIKeyMRBRRSZJBHNUEZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.96
Rot. Bonds8

About N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine

N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine (PubChem CID 115975401) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
PubChem CID115975401
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCCCOC2CCC(N)CC2)n1
InChIInChI=1S/C15H26N4O2/c1-2-20-14-8-10-18-15(19-14)17-9-3-11-21-13-6-4-12(16)5-7-13/h8,10,12-13H,2-7,9,11,16H2,1H3,(H,17,18,19)
InChIKeyMRBRRSZJBHNUEZ-UHFFFAOYSA-N
XLogP1.96
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminocyclohexyl)oxyethyl]-4-propoxypyrimidin-2-amine
CID 115975400
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639518
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine
CID 106876136
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344
N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639496
2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552537
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine
CID 63871029

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine (CID 115975401) is N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NCCCOC2CCC(N)CC2)n1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine?
The InChIKey is MRBRRSZJBHNUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-2-20-14-8-10-18-15(19-14)17-9-3-11-21-13-6-4-12(16)5-7-13/h8,10,12-13H,2-7,9,11,16H2,1H3,(H,17,18,19).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine?
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine has a molecular weight of 294.40 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 115975401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).