3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol

C14H18N4O2 — CID 91782924

IUPAC3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(CN(C)c2cc(C3CC(O)C3)ncn2)on1
InChIInChI=1S/C14H18N4O2/c1-9-3-12(20-17-9)7-18(2)14-6-13(15-8-16-14)10-4-11(19)5-10/h3,6,8,10-11,19H,4-5,7H2,1-2H3
InChIKeyNCZUCWDXFUCOAG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.65
Rot. Bonds4

About 3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91782924) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91782924
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(CN(C)c2cc(C3CC(O)C3)ncn2)on1
InChIInChI=1S/C14H18N4O2/c1-9-3-12(20-17-9)7-18(2)14-6-13(15-8-16-14)10-4-11(19)5-10/h3,6,8,10-11,19H,4-5,7H2,1-2H3
InChIKeyNCZUCWDXFUCOAG-UHFFFAOYSA-N
XLogP1.65
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91782924) is 3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1cc(CN(C)c2cc(C3CC(O)C3)ncn2)on1.
What is the InChIKey of 3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is NCZUCWDXFUCOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-3-12(20-17-9)7-18(2)14-6-13(15-8-16-14)10-4-11(19)5-10/h3,6,8,10-11,19H,4-5,7H2,1-2H3.
What are the key properties of 3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 274.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91782924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).