4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine

C16H25N5O — CID 19137648

IUPAC4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine
SMILESNc1c(NCCC2=CCCCC2)ncnc1N1CCOCC1
InChIInChI=1S/C16H25N5O/c17-14-15(18-7-6-13-4-2-1-3-5-13)19-12-20-16(14)21-8-10-22-11-9-21/h4,12H,1-3,5-11,17H2,(H,18,19,20)
InChIKeyNGTKEFTYFXLWJE-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.20
Rot. Bonds5

About 4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine

4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine (PubChem CID 19137648) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine
PubChem CID19137648
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine
SMILESNc1c(NCCC2=CCCCC2)ncnc1N1CCOCC1
InChIInChI=1S/C16H25N5O/c17-14-15(18-7-6-13-4-2-1-3-5-13)19-12-20-16(14)21-8-10-22-11-9-21/h4,12H,1-3,5-11,17H2,(H,18,19,20)
InChIKeyNGTKEFTYFXLWJE-UHFFFAOYSA-N
XLogP2.20
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138548
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138370
4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
CID 19137103
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140440
6-(benzotriazol-1-yl)-4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5-diamine
CID 19143714
6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19138308
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 3703125
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842370
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143608
4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137769
5-chloro-4-N-[2-(cyclopenten-1-yl)ethyl]pyrimidine-4,6-diamine
CID 106812320

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine (CID 19137648) is 4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine is Nc1c(NCCC2=CCCCC2)ncnc1N1CCOCC1.
What is the InChIKey of 4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine?
The InChIKey is NGTKEFTYFXLWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c17-14-15(18-7-6-13-4-2-1-3-5-13)19-12-20-16(14)21-8-10-22-11-9-21/h4,12H,1-3,5-11,17H2,(H,18,19,20).
What are the key properties of 4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine?
4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine has a molecular weight of 303.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19137648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).