4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine

C20H23N5O2 — CID 56877043

IUPAC4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine
SMILESCc1cc(C[C@@H]2COC[C@@H]2Nc2nccc(-c3ccc(C)nc3C)n2)on1
InChIInChI=1S/C20H23N5O2/c1-12-4-5-17(14(3)22-12)18-6-7-21-20(23-18)24-19-11-26-10-15(19)9-16-8-13(2)25-27-16/h4-8,15,19H,9-11H2,1-3H3,(H,21,23,24)/t15-,19+/m1/s1
InChIKeyFOPZGEWOFUOACV-BEFAXECRSA-N
MW365.44 g/mol
LogP3.12
Rot. Bonds5

About 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine

4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine (PubChem CID 56877043) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine
PubChem CID56877043
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine
SMILESCc1cc(C[C@@H]2COC[C@@H]2Nc2nccc(-c3ccc(C)nc3C)n2)on1
InChIInChI=1S/C20H23N5O2/c1-12-4-5-17(14(3)22-12)18-6-7-21-20(23-18)24-19-11-26-10-15(19)9-16-8-13(2)25-27-16/h4-8,15,19H,9-11H2,1-3H3,(H,21,23,24)/t15-,19+/m1/s1
InChIKeyFOPZGEWOFUOACV-BEFAXECRSA-N
XLogP3.12
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine (CID 56877043) is 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine is Cc1cc(C[C@@H]2COC[C@@H]2Nc2nccc(-c3ccc(C)nc3C)n2)on1.
What is the InChIKey of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine?
The InChIKey is FOPZGEWOFUOACV-BEFAXECRSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12-4-5-17(14(3)22-12)18-6-7-21-20(23-18)24-19-11-26-10-15(19)9-16-8-13(2)25-27-16/h4-8,15,19H,9-11H2,1-3H3,(H,21,23,24)/t15-,19+/m1/s1.
What are the key properties of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine?
4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 56877043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).