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

C16H20N4O2 — CID 131894942

IUPAC4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine
SMILESCO[C@H]1COC[C@@H]1Nc1nccc(-c2ccc(C)nc2C)n1
InChIInChI=1S/C16H20N4O2/c1-10-4-5-12(11(2)18-10)13-6-7-17-16(19-13)20-14-8-22-9-15(14)21-3/h4-7,14-15H,8-9H2,1-3H3,(H,17,19,20)/t14-,15-/m0/s1
InChIKeyVVZJHNUFVNXYIQ-GJZGRUSLSA-N
MW300.36 g/mol
LogP1.98
Rot. Bonds4

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

4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine (PubChem CID 131894942) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine
PubChem CID131894942
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine
SMILESCO[C@H]1COC[C@@H]1Nc1nccc(-c2ccc(C)nc2C)n1
InChIInChI=1S/C16H20N4O2/c1-10-4-5-12(11(2)18-10)13-6-7-17-16(19-13)20-14-8-22-9-15(14)21-3/h4-7,14-15H,8-9H2,1-3H3,(H,17,19,20)/t14-,15-/m0/s1
InChIKeyVVZJHNUFVNXYIQ-GJZGRUSLSA-N
XLogP1.98
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine (CID 131894942) is 4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine is CO[C@H]1COC[C@@H]1Nc1nccc(-c2ccc(C)nc2C)n1.
What is the InChIKey of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine?
The InChIKey is VVZJHNUFVNXYIQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-4-5-12(11(2)18-10)13-6-7-17-16(19-13)20-14-8-22-9-15(14)21-3/h4-7,14-15H,8-9H2,1-3H3,(H,17,19,20)/t14-,15-/m0/s1.
What are the key properties of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine?
4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine has a molecular weight of 300.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-3-pyridinyl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 131894942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).