N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine

C16H20N4O3 — CID 131890778

IUPACN-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
SMILESCO[C@H]1COC[C@@H]1Nc1ncnc(Oc2cccnc2C)c1C
InChIInChI=1S/C16H20N4O3/c1-10-15(20-12-7-22-8-14(12)21-3)18-9-19-16(10)23-13-5-4-6-17-11(13)2/h4-6,9,12,14H,7-8H2,1-3H3,(H,18,19,20)/t12-,14-/m0/s1
InChIKeyKENAGAZKSJIUTQ-JSGCOSHPSA-N
MW316.36 g/mol
LogP2.11
Rot. Bonds5

About N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine

N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine (PubChem CID 131890778) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
PubChem CID131890778
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
SMILESCO[C@H]1COC[C@@H]1Nc1ncnc(Oc2cccnc2C)c1C
InChIInChI=1S/C16H20N4O3/c1-10-15(20-12-7-22-8-14(12)21-3)18-9-19-16(10)23-13-5-4-6-17-11(13)2/h4-6,9,12,14H,7-8H2,1-3H3,(H,18,19,20)/t12-,14-/m0/s1
InChIKeyKENAGAZKSJIUTQ-JSGCOSHPSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine?
The IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine (CID 131890778) is N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine.
What is the SMILES notation for N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine?
The canonical SMILES for N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine is CO[C@H]1COC[C@@H]1Nc1ncnc(Oc2cccnc2C)c1C.
What is the InChIKey of N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine?
The InChIKey is KENAGAZKSJIUTQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-15(20-12-7-22-8-14(12)21-3)18-9-19-16(10)23-13-5-4-6-17-11(13)2/h4-6,9,12,14H,7-8H2,1-3H3,(H,18,19,20)/t12-,14-/m0/s1.
What are the key properties of N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine?
N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine has a molecular weight of 316.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 131890778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).