trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol

C10H15N3O — CID 130703423

IUPACtrans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol
SMILESCc1cnc(N[C@@H]2CC[C@H]2O)nc1C
InChIInChI=1S/C10H15N3O/c1-6-5-11-10(12-7(6)2)13-8-3-4-9(8)14/h5,8-9,14H,3-4H2,1-2H3,(H,11,12,13)/t8-,9-/m1/s1
InChIKeySWNRMXITHJEARO-RKDXNWHRSA-N
MW193.25 g/mol
LogP1.03
Rot. Bonds2

About trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol

trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol (PubChem CID 130703423) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol
PubChem CID130703423
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Nametrans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol
SMILESCc1cnc(N[C@@H]2CC[C@H]2O)nc1C
InChIInChI=1S/C10H15N3O/c1-6-5-11-10(12-7(6)2)13-8-3-4-9(8)14/h5,8-9,14H,3-4H2,1-2H3,(H,11,12,13)/t8-,9-/m1/s1
InChIKeySWNRMXITHJEARO-RKDXNWHRSA-N
XLogP1.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol (CID 130703423) is trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol is Cc1cnc(N[C@@H]2CC[C@H]2O)nc1C.
What is the InChIKey of trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol?
The InChIKey is SWNRMXITHJEARO-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-5-11-10(12-7(6)2)13-8-3-4-9(8)14/h5,8-9,14H,3-4H2,1-2H3,(H,11,12,13)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol?
trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol has a molecular weight of 193.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 130703423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).