4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine

C16H20N4O3 — CID 91759839

IUPAC4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@@H]2CCOC[C@@H]2Oc2ccc(C)nc2)n1
InChIInChI=1S/C16H20N4O3/c1-11-3-4-12(9-18-11)23-14-10-22-8-6-13(14)19-16-17-7-5-15(20-16)21-2/h3-5,7,9,13-14H,6,8,10H2,1-2H3,(H,17,19,20)/t13-,14+/m1/s1
InChIKeyDDZHLXDZOVTMTQ-KGLIPLIRSA-N
MW316.36 g/mol
LogP1.84
Rot. Bonds5

About 4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine

4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine (PubChem CID 91759839) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine
PubChem CID91759839
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@@H]2CCOC[C@@H]2Oc2ccc(C)nc2)n1
InChIInChI=1S/C16H20N4O3/c1-11-3-4-12(9-18-11)23-14-10-22-8-6-13(14)19-16-17-7-5-15(20-16)21-2/h3-5,7,9,13-14H,6,8,10H2,1-2H3,(H,17,19,20)/t13-,14+/m1/s1
InChIKeyDDZHLXDZOVTMTQ-KGLIPLIRSA-N
XLogP1.84
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methoxy-N-(2-methyloxolan-3-yl)pyrimidin-2-amine
CID 112547989
2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide
CID 91787096
2,5-dimethyl-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]furan-3-carboxamide
CID 133268048
N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
CID 112637950
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide
CID 133267072
2-ethoxy-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyridine-3-carboxamide
CID 133267607
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 133260661
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 91777974
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 91763480
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 91762296
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide
CID 133267645
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 133266438

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine (CID 91759839) is 4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine is COc1ccnc(N[C@@H]2CCOC[C@@H]2Oc2ccc(C)nc2)n1.
What is the InChIKey of 4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine?
The InChIKey is DDZHLXDZOVTMTQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-3-4-12(9-18-11)23-14-10-22-8-6-13(14)19-16-17-7-5-15(20-16)21-2/h3-5,7,9,13-14H,6,8,10H2,1-2H3,(H,17,19,20)/t13-,14+/m1/s1.
What are the key properties of 4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine?
4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine has a molecular weight of 316.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 91759839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).