4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

C11H17N3O — CID 30033469

IUPAC4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NC[C@H]2CCCO2)n1
InChIInChI=1S/C11H17N3O/c1-8-6-9(2)14-11(13-8)12-7-10-4-3-5-15-10/h6,10H,3-5,7H2,1-2H3,(H,12,13,14)/t10-/m1/s1
InChIKeyKUBAQLCMCXZPPS-SNVBAGLBSA-N
MW207.28 g/mol
LogP1.68
Rot. Bonds3

About 4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 30033469) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID30033469
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NC[C@H]2CCCO2)n1
InChIInChI=1S/C11H17N3O/c1-8-6-9(2)14-11(13-8)12-7-10-4-3-5-15-10/h6,10H,3-5,7H2,1-2H3,(H,12,13,14)/t10-/m1/s1
InChIKeyKUBAQLCMCXZPPS-SNVBAGLBSA-N
XLogP1.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 30033469) is 4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is Cc1cc(C)nc(NC[C@H]2CCCO2)n1.
What is the InChIKey of 4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is KUBAQLCMCXZPPS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-6-9(2)14-11(13-8)12-7-10-4-3-5-15-10/h6,10H,3-5,7H2,1-2H3,(H,12,13,14)/t10-/m1/s1.
What are the key properties of 4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 207.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 30033469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).