6-morpholin-4-yl-N-pentylpyrimidin-4-amine

C13H22N4O — CID 112857074

IUPAC6-morpholin-4-yl-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-2-3-4-5-14-12-10-13(16-11-15-12)17-6-8-18-9-7-17/h10-11H,2-9H2,1H3,(H,14,15,16)
InChIKeyWVQJTVOMFNCPFX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.92
Rot. Bonds6

About 6-morpholin-4-yl-N-pentylpyrimidin-4-amine

6-morpholin-4-yl-N-pentylpyrimidin-4-amine (PubChem CID 112857074) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-pentylpyrimidin-4-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-N-pentylpyrimidin-4-amine
PubChem CID112857074
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-morpholin-4-yl-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-2-3-4-5-14-12-10-13(16-11-15-12)17-6-8-18-9-7-17/h10-11H,2-9H2,1H3,(H,14,15,16)
InChIKeyWVQJTVOMFNCPFX-UHFFFAOYSA-N
XLogP1.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112855082
N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282484
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
ethyl 4-[6-(butylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112855122
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
2-cyclopropyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327986
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
CID 83027310

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-pentylpyrimidin-4-amine?
The IUPAC name of 6-morpholin-4-yl-N-pentylpyrimidin-4-amine (CID 112857074) is 6-morpholin-4-yl-N-pentylpyrimidin-4-amine.
What is the SMILES notation for 6-morpholin-4-yl-N-pentylpyrimidin-4-amine?
The canonical SMILES for 6-morpholin-4-yl-N-pentylpyrimidin-4-amine is CCCCCNc1cc(N2CCOCC2)ncn1.
What is the InChIKey of 6-morpholin-4-yl-N-pentylpyrimidin-4-amine?
The InChIKey is WVQJTVOMFNCPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-3-4-5-14-12-10-13(16-11-15-12)17-6-8-18-9-7-17/h10-11H,2-9H2,1H3,(H,14,15,16).
What are the key properties of 6-morpholin-4-yl-N-pentylpyrimidin-4-amine?
6-morpholin-4-yl-N-pentylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-pentylpyrimidin-4-amine is sourced from PubChem (CID 112857074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).