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

C16H25N7O — CID 50967293

IUPAC6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCCn1cnnc1CNc1cc(CC)nc(N2CCOCC2)n1
InChIInChI=1S/C16H25N7O/c1-3-5-23-12-18-21-15(23)11-17-14-10-13(4-2)19-16(20-14)22-6-8-24-9-7-22/h10,12H,3-9,11H2,1-2H3,(H,17,19,20)
InChIKeyVFMRXNRAJCNNBX-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.49
Rot. Bonds7

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

6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 50967293) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID50967293
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCCn1cnnc1CNc1cc(CC)nc(N2CCOCC2)n1
InChIInChI=1S/C16H25N7O/c1-3-5-23-12-18-21-15(23)11-17-14-10-13(4-2)19-16(20-14)22-6-8-24-9-7-22/h10,12H,3-9,11H2,1-2H3,(H,17,19,20)
InChIKeyVFMRXNRAJCNNBX-UHFFFAOYSA-N
XLogP1.49
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-ethyl-2-morpholin-4-yl-N-[(1-phenyltetrazol-5-yl)methyl]pyrimidin-4-amine
CID 135096076
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 134708604
6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 135108999
1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 72842762
6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 50979486
6-methyl-2-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 50982525
6-ethyl-2-morpholin-4-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 50969465
3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide
CID 134706732
6-ethyl-2-morpholin-4-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-4-amine
CID 134698488
(2S)-2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylacetamide
CID 135106210
4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 134712640
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-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (CID 50967293) is 6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is CCCn1cnnc1CNc1cc(CC)nc(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is VFMRXNRAJCNNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-3-5-23-12-18-21-15(23)11-17-14-10-13(4-2)19-16(20-14)22-6-8-24-9-7-22/h10,12H,3-9,11H2,1-2H3,(H,17,19,20).
What are the key properties of 6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 331.42 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 50967293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).