6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine

C16H25N7O — CID 50958773

IUPAC6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCCn1ncnc1C(C)Nc1cc(C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H25N7O/c1-4-5-23-15(17-11-18-23)13(3)20-14-10-12(2)19-16(21-14)22-6-8-24-9-7-22/h10-11,13H,4-9H2,1-3H3,(H,19,20,21)
InChIKeyOZZCSQHFNRLFEA-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.80
Rot. Bonds6

About 6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine

6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 50958773) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID50958773
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCCn1ncnc1C(C)Nc1cc(C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H25N7O/c1-4-5-23-15(17-11-18-23)13(3)20-14-10-12(2)19-16(21-14)22-6-8-24-9-7-22/h10-11,13H,4-9H2,1-3H3,(H,19,20,21)
InChIKeyOZZCSQHFNRLFEA-UHFFFAOYSA-N
XLogP1.80
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 50957093
6-methyl-2-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 50982525
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
6-ethyl-2-morpholin-4-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 50969465
N-cycloheptyl-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912292
N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112908851
N-(3,5-dimethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912311
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112912256
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912289
N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)quinolin-8-amine
CID 112912374
6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 50967293

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (CID 50958773) is 6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is CCCn1ncnc1C(C)Nc1cc(C)nc(N2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is OZZCSQHFNRLFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-4-5-23-15(17-11-18-23)13(3)20-14-10-12(2)19-16(21-14)22-6-8-24-9-7-22/h10-11,13H,4-9H2,1-3H3,(H,19,20,21).
What are the key properties of 6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 331.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50958773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).