3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C15H23N7O2 — CID 91787120

IUPAC3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCOCCn1cnnc1CCNc1cc(C2CC(O)C2)nc(N)n1
InChIInChI=1S/C15H23N7O2/c1-24-5-4-22-9-18-21-14(22)2-3-17-13-8-12(19-15(16)20-13)10-6-11(23)7-10/h8-11,23H,2-7H2,1H3,(H3,16,17,19,20)
InChIKeyMCDPSISXQSZPAD-UHFFFAOYSA-N
MW333.40 g/mol
LogP0.19
Rot. Bonds8

About 3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91787120) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91787120
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCOCCn1cnnc1CCNc1cc(C2CC(O)C2)nc(N)n1
InChIInChI=1S/C15H23N7O2/c1-24-5-4-22-9-18-21-14(22)2-3-17-13-8-12(19-15(16)20-13)10-6-11(23)7-10/h8-11,23H,2-7H2,1H3,(H3,16,17,19,20)
InChIKeyMCDPSISXQSZPAD-UHFFFAOYSA-N
XLogP0.19
TPSA124.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91787120) is 3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is COCCn1cnnc1CCNc1cc(C2CC(O)C2)nc(N)n1.
What is the InChIKey of 3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is MCDPSISXQSZPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-24-5-4-22-9-18-21-14(22)2-3-17-13-8-12(19-15(16)20-13)10-6-11(23)7-10/h8-11,23H,2-7H2,1H3,(H3,16,17,19,20).
What are the key properties of 3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 333.40 g/mol, XLogP of 0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91787120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).