N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

C24H28N4O2 — CID 133272534

IUPACN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCOc1ccc(C2(CNc3cc(C)nc(-c4cccnc4)n3)CCOCC2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-30-21-8-6-20(7-9-21)24(10-13-29-14-11-24)17-26-22-15-18(2)27-23(28-22)19-5-4-12-25-16-19/h4-9,12,15-16H,3,10-11,13-14,17H2,1-2H3,(H,26,27,28)
InChIKeyNYKUQURDMMXTMZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.41
Rot. Bonds7

About N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 133272534) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID133272534
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCOc1ccc(C2(CNc3cc(C)nc(-c4cccnc4)n3)CCOCC2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-30-21-8-6-20(7-9-21)24(10-13-29-14-11-24)17-26-22-15-18(2)27-23(28-22)19-5-4-12-25-16-19/h4-9,12,15-16H,3,10-11,13-14,17H2,1-2H3,(H,26,27,28)
InChIKeyNYKUQURDMMXTMZ-UHFFFAOYSA-N
XLogP4.41
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133274713
2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000511
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918345
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 138999432
6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine
CID 133272815
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50961051
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133279755
N-[[4-[4-(4-chlorobutoxy)phenyl]oxan-4-yl]methyl]pyridin-2-amine
CID 68576502
2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133367313
N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 131916302
6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302283

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 133272534) is N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is CCOc1ccc(C2(CNc3cc(C)nc(-c4cccnc4)n3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is NYKUQURDMMXTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-30-21-8-6-20(7-9-21)24(10-13-29-14-11-24)17-26-22-15-18(2)27-23(28-22)19-5-4-12-25-16-19/h4-9,12,15-16H,3,10-11,13-14,17H2,1-2H3,(H,26,27,28).
What are the key properties of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 404.51 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 133272534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).