6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine

C17H26N6O — CID 135108999

IUPAC6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCCCc2cnn(C)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H26N6O/c1-3-15-11-16(18-6-4-5-14-12-19-22(2)13-14)21-17(20-15)23-7-9-24-10-8-23/h11-13H,3-10H2,1-2H3,(H,18,20,21)
InChIKeyOIRUHNQJGLGSMU-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.65
Rot. Bonds7

About 6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine

6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 135108999) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID135108999
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCCCc2cnn(C)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H26N6O/c1-3-15-11-16(18-6-4-5-14-12-19-22(2)13-14)21-17(20-15)23-7-9-24-10-8-23/h11-13H,3-10H2,1-2H3,(H,18,20,21)
InChIKeyOIRUHNQJGLGSMU-UHFFFAOYSA-N
XLogP1.65
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholine
CID 39756782
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 134708604
3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide
CID 134706732
6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 50967293
6-ethyl-2-morpholin-4-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 50969465
6-methyl-2-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 50982525
6-ethyl-2-morpholin-4-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-4-amine
CID 134698488
6-ethoxy-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 133464381
6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 50979486
2-(4-methylpiperazin-1-yl)-N,6-dipropylpyrimidin-4-amine
CID 62190377
6-ethyl-2-morpholin-4-yl-N-[(1-phenyltetrazol-5-yl)methyl]pyrimidin-4-amine
CID 135096076
6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 50957093

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 135108999) is 6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine is CCc1cc(NCCCc2cnn(C)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is OIRUHNQJGLGSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-3-15-11-16(18-6-4-5-14-12-19-22(2)13-14)21-17(20-15)23-7-9-24-10-8-23/h11-13H,3-10H2,1-2H3,(H,18,20,21).
What are the key properties of 6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine?
6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 135108999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).