2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine

C14H19N5O — CID 164634684

IUPAC2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine
SMILESCc1cc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)nc(C)n1
InChIInChI=1S/C14H19N5O/c1-9-6-13(17-10(2)16-9)18-12-4-5-20-14(12)11-7-15-19(3)8-11/h6-8,12,14H,4-5H2,1-3H3,(H,16,17,18)/t12-,14+/m0/s1
InChIKeyIOAIKBSHLBJJOR-GXTWGEPZSA-N
MW273.34 g/mol
LogP1.77
Rot. Bonds3

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

2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine (PubChem CID 164634684) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine
PubChem CID164634684
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine
SMILESCc1cc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)nc(C)n1
InChIInChI=1S/C14H19N5O/c1-9-6-13(17-10(2)16-9)18-12-4-5-20-14(12)11-7-15-19(3)8-11/h6-8,12,14H,4-5H2,1-3H3,(H,16,17,18)/t12-,14+/m0/s1
InChIKeyIOAIKBSHLBJJOR-GXTWGEPZSA-N
XLogP1.77
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine (CID 164634684) is 2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine is Cc1cc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is IOAIKBSHLBJJOR-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-6-13(17-10(2)16-9)18-12-4-5-20-14(12)11-7-15-19(3)8-11/h6-8,12,14H,4-5H2,1-3H3,(H,16,17,18)/t12-,14+/m0/s1.
What are the key properties of 2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine?
2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 164634684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).