N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

C16H20N4O2 — CID 131916302

IUPACN-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCO[C@H]1COCC[C@@H]1Nc1cc(C)nc(-c2cccnc2)n1
InChIInChI=1S/C16H20N4O2/c1-11-8-15(19-13-5-7-22-10-14(13)21-2)20-16(18-11)12-4-3-6-17-9-12/h3-4,6,8-9,13-14H,5,7,10H2,1-2H3,(H,18,19,20)/t13-,14-/m0/s1
InChIKeyCHAQPIYTBNHKIE-KBPBESRZSA-N
MW300.36 g/mol
LogP2.06
Rot. Bonds4

About N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 131916302) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID131916302
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCO[C@H]1COCC[C@@H]1Nc1cc(C)nc(-c2cccnc2)n1
InChIInChI=1S/C16H20N4O2/c1-11-8-15(19-13-5-7-22-10-14(13)21-2)20-16(18-11)12-4-3-6-17-9-12/h3-4,6,8-9,13-14H,5,7,10H2,1-2H3,(H,18,19,20)/t13-,14-/m0/s1
InChIKeyCHAQPIYTBNHKIE-KBPBESRZSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 131916302) is N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is CO[C@H]1COCC[C@@H]1Nc1cc(C)nc(-c2cccnc2)n1.
What is the InChIKey of N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is CHAQPIYTBNHKIE-KBPBESRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-8-15(19-13-5-7-22-10-14(13)21-2)20-16(18-11)12-4-3-6-17-9-12/h3-4,6,8-9,13-14H,5,7,10H2,1-2H3,(H,18,19,20)/t13-,14-/m0/s1.
What are the key properties of N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 300.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 131916302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).