4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine

C15H21N5O2 — CID 167899667

IUPAC4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C15H21N5O2/c1-20-10-12(9-18-20)14-11(4-3-7-22-14)8-17-15-16-6-5-13(19-15)21-2/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,16,17,19)/t11-,14+/m0/s1
InChIKeySGQWMYNGTHUTQI-SMDDNHRTSA-N
MW303.37 g/mol
LogP1.80
Rot. Bonds5

About 4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine

4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine (PubChem CID 167899667) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine
PubChem CID167899667
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C15H21N5O2/c1-20-10-12(9-18-20)14-11(4-3-7-22-14)8-17-15-16-6-5-13(19-15)21-2/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,16,17,19)/t11-,14+/m0/s1
InChIKeySGQWMYNGTHUTQI-SMDDNHRTSA-N
XLogP1.80
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine (CID 167899667) is 4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine is COc1ccnc(NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)n1.
What is the InChIKey of 4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is SGQWMYNGTHUTQI-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-20-10-12(9-18-20)14-11(4-3-7-22-14)8-17-15-16-6-5-13(19-15)21-2/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,16,17,19)/t11-,14+/m0/s1.
What are the key properties of 4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine?
4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 303.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 167899667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).