(3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol

C13H22N4O — CID 72866332

IUPAC(3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol
SMILESCNc1cc(C)nc(N2CC[C@](C)(O)[C@H](C)C2)n1
InChIInChI=1S/C13H22N4O/c1-9-8-17(6-5-13(9,3)18)12-15-10(2)7-11(14-4)16-12/h7,9,18H,5-6,8H2,1-4H3,(H,14,15,16)/t9-,13+/m1/s1
InChIKeyGHLZHZCVBREPQZ-RNCFNFMXSA-N
MW250.35 g/mol
LogP1.42
Rot. Bonds2

About (3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol

(3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 72866332) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol
PubChem CID72866332
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol
SMILESCNc1cc(C)nc(N2CC[C@](C)(O)[C@H](C)C2)n1
InChIInChI=1S/C13H22N4O/c1-9-8-17(6-5-13(9,3)18)12-15-10(2)7-11(14-4)16-12/h7,9,18H,5-6,8H2,1-4H3,(H,14,15,16)/t9-,13+/m1/s1
InChIKeyGHLZHZCVBREPQZ-RNCFNFMXSA-N
XLogP1.42
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of (3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol (CID 72866332) is (3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for (3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for (3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol is CNc1cc(C)nc(N2CC[C@](C)(O)[C@H](C)C2)n1.
What is the InChIKey of (3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is GHLZHZCVBREPQZ-RNCFNFMXSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-8-17(6-5-13(9,3)18)12-15-10(2)7-11(14-4)16-12/h7,9,18H,5-6,8H2,1-4H3,(H,14,15,16)/t9-,13+/m1/s1.
What are the key properties of (3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol?
(3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 250.35 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 72866332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).