4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine

C11H17N3O — CID 94408418

IUPAC4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine
SMILESCc1cc(C)nc(OC[C@@H]2CCNC2)n1
InChIInChI=1S/C11H17N3O/c1-8-5-9(2)14-11(13-8)15-7-10-3-4-12-6-10/h5,10,12H,3-4,6-7H2,1-2H3/t10-/m1/s1
InChIKeySNXDCMJRPOHRRF-SNVBAGLBSA-N
MW207.28 g/mol
LogP1.08
Rot. Bonds3

About 4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine

4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine (PubChem CID 94408418) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine
PubChem CID94408418
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine
SMILESCc1cc(C)nc(OC[C@@H]2CCNC2)n1
InChIInChI=1S/C11H17N3O/c1-8-5-9(2)14-11(13-8)15-7-10-3-4-12-6-10/h5,10,12H,3-4,6-7H2,1-2H3/t10-/m1/s1
InChIKeySNXDCMJRPOHRRF-SNVBAGLBSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-6-(pyrrolidin-3-ylmethoxy)pyrimidine
CID 62371609
4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
CID 55064372
2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]morpholine
CID 114469199
2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide
CID 81052498
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
2,4-dimethyl-6-(piperidin-4-ylmethoxy)pyrimidine
CID 62349222
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
2-chloro-4-methyl-6-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 97162859
3-methyl-2-(pyrrolidin-3-ylmethoxy)quinoline
CID 63228996
(3S)-3-[(2,4-ditert-butylphenoxy)methyl]pyrrolidine
CID 86320135
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrrolidine
CID 79403216
4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
CID 71638379

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine (CID 94408418) is 4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine is Cc1cc(C)nc(OC[C@@H]2CCNC2)n1.
What is the InChIKey of 4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine?
The InChIKey is SNXDCMJRPOHRRF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-9(2)14-11(13-8)15-7-10-3-4-12-6-10/h5,10,12H,3-4,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of 4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine?
4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine has a molecular weight of 207.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine is sourced from PubChem (CID 94408418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).