3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C14H19N5O — CID 91796969

IUPAC3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nccn1CCNc1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C14H19N5O/c1-10-15-2-4-19(10)5-3-16-14-8-13(17-9-18-14)11-6-12(20)7-11/h2,4,8-9,11-12,20H,3,5-7H2,1H3,(H,16,17,18)
InChIKeyZEKYMQLWWGMRSM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.33
Rot. Bonds5

About 3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91796969) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91796969
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nccn1CCNc1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C14H19N5O/c1-10-15-2-4-19(10)5-3-16-14-8-13(17-9-18-14)11-6-12(20)7-11/h2,4,8-9,11-12,20H,3,5-7H2,1H3,(H,16,17,18)
InChIKeyZEKYMQLWWGMRSM-UHFFFAOYSA-N
XLogP1.33
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91796969) is 3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nccn1CCNc1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is ZEKYMQLWWGMRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-15-2-4-19(10)5-3-16-14-8-13(17-9-18-14)11-6-12(20)7-11/h2,4,8-9,11-12,20H,3,5-7H2,1H3,(H,16,17,18).
What are the key properties of 3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 273.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(2-methylimidazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91796969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).